SCHEMBL2328636

SCHEMBL2328636

C1CNCC(N2CCCC2)C1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.79
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR2B P41595 1/20 0.35
HTR3A P46098 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
APLNR P35414 2/20 0.34
L3MBTL3 Q96JM7 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20744604 1.00 HTR6 (0.79) HTR6SLC6A1SLC6A11TSHRLMNA
SCHEMBL20758423 0.98 HTR6 (0.76) HTR6SLC6A1SLC6A11TSHRLMNA
SCHEMBL13073 0.98 HTR6 (0.76) HTR6SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL16110108 0.98 HTR6 (0.76) HTR6SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL16110484 0.98 HTR6 (0.76) HTR6SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL16110110 0.98 HTR6 (0.76) HTR6SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL16108748 0.96 HTR6 (0.73) HTR6SLC6A1SLC6A11TSHRLMNA
SCHEMBL20744481 0.95 HTR6 (0.72) HTR6SLC6A1SLC6A11TSHRLMNA
SCHEMBL12730878 0.95 HTR6 (0.72) HTR6SLC6A1SLC6A11TSHRLMNA
SCHEMBL3289269 0.93 HTR6 (0.83) HTR6HTR2BL3MBTL3L3MBTL1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-07-09 US disclosed
US-10344002-B2 Compositions and methods for treating metabolic disorders NUSIRT SCIENCES, INC. (US) 2019-07-09 US disclosed
US-10287286-B2 Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-14 US disclosed
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-02-07 US disclosed
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS NUSIRT SCIENCES, INC. 2018-04-19 US disclosed
US-20180072714-A1 Novel Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 US disclosed
CN-103698456-B Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2015-07-15 CN disclosed
CN-103698456-A Online detection method for pyrolysis gas-phase components of tobacco additive or tobacco material SHANGHAI TOBACCO GROUP CO LTD 2014-04-02 CN disclosed
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-09-05 US disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US disclosed
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-21 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
EP-1558578-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 US disclosed
WO-2004039780-A1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed
US-5856318-A Nitrogen-containing cyclohetero cyclo-heteroaminoaryl derivatives for CNS disorders THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-05 US disclosed
US-5656625-A ANTIISCHEMIC AGENT, PSYCHOLOGICAL DISORDER, ANTICONVULSANT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-12 US disclosed
US-5346908-A Anticonvulsant NATIONAL INSTITUTES OF HEALTH (US) 1994-09-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180072714-A1 Novel Compounds F12, HAX1, C1S HTR6 1000/4885SLC6A1 1828/4885SLC6A11 1806/4885
US-10344002-B2 Compositions and methods for treating metabolic disorders LIPC, PC, PNLIP HTR6 2890/4885SLC6A1 2197/4885SLC6A11 2662/4885
US-20180105498-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISORDERS LIPC, PC, PNLIP HTR6 2890/4885SLC6A1 2197/4885SLC6A11 2662/4885
US-10287286-B2 Compounds F12, C1S, F3 HTR6 872/4885SLC6A1 1306/4885SLC6A11 1454/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HTR6 175/4885SLC6A1 1980/4885SLC6A11 1750/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R HTR6 172/4885SLC6A1 1803/4885SLC6A11 2041/4885
US-20130231321-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 HTR6 2068/4885SLC6A1 332/4885SLC6A11 844/4885
US-10344006-B2 Amine-containing acyclic hydrofluoroethers and methods of using the same AFF1, AFF2, FANCF HTR6 2808/4885SLC6A1 1237/4885SLC6A11 1307/4885
US-20110092475-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME SULT1E1, SULT2A1, SULT1A1 HTR6 2068/4885SLC6A1 332/4885SLC6A11 844/4885
US-20190040024-A1 AMINE-CONTAINING ACYCLIC HYDROFLUOROETHERS AND METHODS OF USING THE SAME AFF1, AFF2, FANCF HTR6 2808/4885SLC6A1 1237/4885SLC6A11 1307/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.