SCHEMBL692287

SCHEMBL692287

CSC1=Nc2ccccc2CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 5/20 0.38
BCHE P06276 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
DRD4 P21917 1/20 0.33

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
SCHEMBL11478657 0.89 NOS3 (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL10026452 0.79 HRH4 (0.40) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL9636566 0.73 HPGD (0.37) HPGD
SCHEMBL9636555 0.73 HPGD (0.37) HPGD
SCHEMBL22983115 0.71 NOS3 (0.77) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL12066839 0.71 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL14999656 0.71 TSHR (0.52) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL7618082 0.70 NPC1 (0.45) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL14999657 0.70 CYP2A6 (0.46) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL9635210 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-05-10 US disclosed
US-9701679-B2 Modulators of 5-HT receptors and methods of use thereof Abb Vie Deutschland GmbH & Co. KG (DE) 2017-07-11 US disclosed
EP-3150607-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2017-04-05 EP disclosed
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
EP-2421870-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-03-09 EP disclosed
EP-2522671-B1 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC (US) 2016-01-20 EP disclosed
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-25 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-8846663-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP disclosed
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
WO-2011133182-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-10-27 WO disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US disclosed
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 US disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed
WO-1992019572-A2 I-AZA-2-PHENYLHYDRORAZINO-HETEROCYCLES, PROCESS FOR PRODUCING THEM AND PHARMACEUTICALS CONTAINING THEM ARZNEIMITTELWERK DRESDEN GMBH (DE) 1992-11-12 WO 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D NOS3 841/4885NOS1 1323/4885NOS2 1564/4885
US-20180127423-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D NOS3 841/4885NOS1 1323/4885NOS2 1564/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D NOS3 841/4885NOS1 1323/4885NOS2 1564/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D NOS3 841/4885NOS1 1323/4885NOS2 1564/4885

“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.