SCHEMBL1994507

SCHEMBL1994507

C1CCC(CN2CCCC2)NC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
HTR2A P28223 3/20 0.51
KCNH2 Q12809 3/20 0.51
HTR1D P28221 2/20 0.51
HRH1 P35367 2/20 0.51
ADRA1B P35368 2/20 0.51
CACNA2D1 P54289 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNB1 Q02641 1/20 0.47
CHRM5 P08912 2/20 0.46
ADRA2C P18825 2/20 0.46
CYP2D6 P10635 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
MLNR O43193 1/20 0.42

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
SCHEMBL1994505 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL8566386 1.00 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL4382179 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10326683 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1232420 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8563154 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL1997768 0.98 HTR1A (0.50) HTR1AHTR2AKCNH2HTR1DHRH1
Hydrochloric Acid SCHEMBL8561237 0.96 HTR1A (0.49) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL10264864 0.96 HTR1A (0.51) HTR1AHTR2AKCNH2HTR1DHRH1
SCHEMBL16716869 0.93 HTR1A (0.45) HTR1AHTR2AKCNH2HTR1DHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2024-06-06 US disclosed
US-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE UNIV LOUISIANA STATE (US) 2023-06-15 US disclosed
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2406255-B1 4-OXADIAZOL-2-YL-INDAZOLES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2015-04-29 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-8212037-B2 Process for production of optically active quinuclidinols KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
EP-0333427-A1 Heterocyclic derivatives Smithkline Beecham Farmaceutici S.p.A. (IT) 1989-09-20 EP disclosed
EP-0333315-A1 Azacyclic compounds, processes for their preparation and their pharmaceutical use Dr. Lo. Zambeletti S.p.A. (IT) 1989-09-20 EP disclosed
EP-0330468-A2 Use of heterocyclic derivatives as kappa-opioid receptor agonists in the treatment of cerebral ischaemia GLAXO GROUP LIMITED (GB) 1989-08-30 EP disclosed
EP-0156191-B1 CONDENSED DIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1989-07-19 EP disclosed
US-4826819-A Piperidine analgesics DR. LO ZAMBELETTI S.P.A. (IT) 1989-05-02 US disclosed
US-4801585-A Cyclic carboxamide derivatives and their use as analgesics DR.LO.ZAMBELETTI S.P.A. (IT) 1989-01-31 US disclosed
EP-0260041-A1 1-Acyl-substituted piperidine derivatives Dr. Lo. Zambeletti S.p.A. (IT) 1988-03-16 EP disclosed
EP-0232612-A1 Azacyclic compounds, processes for their preparation, and their use as pharmaceuticals Dr. Lo. Zambeletti S.p.A. (IT) 1987-08-19 EP disclosed
US-4550107-A Condensed diazepinones, their compositions and methods of use as pharmaceuticals DR. KARL THOMAE GMBH (DE) 1985-10-29 US disclosed
EP-0156191-A2 Condensed diazepinones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-10-02 EP 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 (4 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A HTR1A 1821/4885HTR2A 1166/4885KCNH2 416/4885
US-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 HTR1A 2919/4885HTR2A 3304/4885KCNH2 4213/4885
US-20230181569-A1 COMPOSITIONS AND METHODS TO TREAT POLYCYSTIC KIDNEY DISEASE OPRK1, OPRL1, AVPR1A HTR1A 321/4885HTR2A 268/4885KCNH2 419/4885
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE OPRK1, OPRL1, OPRM1 HTR1A 252/4885HTR2A 387/4885KCNH2 353/4885

“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.