SCHEMBL4070124

SCHEMBL4070124

COC1CCCCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
USP30 Q70CQ3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
Biphenyl SCHEMBL27456670 0.95 HRH3 (0.42) SLC18A3MAOAMAOBMAPTL3MBTL1
SCHEMBL27865561 0.83 ALDH1A1 (0.42) SLC18A3MAOAMAOBMAPTL3MBTL1
SCHEMBL27700616 0.82 MBTD1 (0.40) SLC18A3MAOAMAOBMAPTL3MBTL1
SCHEMBL11030898 0.81 FFAR1 (0.38) SLC18A3MAOAMAOBL3MBTL1MBTD1
SCHEMBL27848433 0.81 OPRM1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30241932 0.81 CHRNB2 (0.48) MAPTALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL11498525 0.81 FFAR1 (0.40) SLC18A3MAOAMAOBL3MBTL1MBTD1
SCHEMBL27972498 0.79 SLC18A3 (0.46) SLC18A3ALDH1A1TSHRKMT2AMEN1
SCHEMBL10731523 0.79 FFAR1 (0.34) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27630324 0.79 FFAR1 (0.46) MAPTL3MBTL1KDM4EALDH1A1NPSR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470924-B Imidazopyrazines derivant as TNF active regulator UCB生物制药私人有限公司 2016-11-09 CN disclosed
CN-105492460-A Stabilized polypeptide insulin receptor modulators HARVARD COLLEGE 2016-04-13 CN disclosed
CN-105492428-A Methods and compositions for treating beta-thalassemia and sickle cell disease ACADEMIA SINICA 2016-04-13 CN disclosed
CN-105164161-A Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS INC 2015-12-16 CN disclosed
CN-104936595-A Methods and compositions for locally increasing body fat TOPOKINE THERAPEUTICS INC 2015-09-23 CN disclosed
CN-104136452-A 3, 3-disubstituted 19-norpregnane compounds, compositions, and uses thereof SAGE THERAPEUTICS INC 2014-11-05 CN disclosed
CN-103958540-A Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS INC 2014-07-30 CN disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
EP-2099454-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS Abbott Laboratories (US) 2009-09-16 EP disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 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 (1 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 SLC18A3 4789/4885MAOA 3462/4885MAOB 3552/4885

“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.