SCHEMBL2016217

SCHEMBL2016217

CC(C)(C)OC(=O)N1CCN2c3cc(Cl)ccc3NCCC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
AVPR1A P37288 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 2/20 0.42
PAK1 Q13153 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
MAPK1 P28482 2/20 0.42
MDM2 Q00987 1/20 0.41
MAPT P10636 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
STS P08842 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2014317 0.87 KDM4E (0.43) CNR1MEN1KMT2AUSP30MAPK1
SCHEMBL2016857 0.85 MAPK1 (0.53) AVPR1AMEN1KMT2AUSP30MAPK1
SCHEMBL2017528 0.85 AVPR1A (0.42) AVPR1AMDM2MAPTALDH1A1
SCHEMBL2018357 0.84 CNR1 (0.42) CNR1MEN1KMT2AUSP30PAK1
SCHEMBL18222121 0.82 CNR1 (0.43) CNR1AVPR1AMEN1KMT2AUSP30
SCHEMBL24187460 0.81 SIGMAR1 (0.47) CNR1MEN1KMT2AUSP30CYP3A4
SCHEMBL31543797 0.81 FPR2 (0.45) USP30MAPK1MAPTSMARCA2SMARCA4
SCHEMBL2013371 0.81 FPR2 (0.45) USP30MAPK1MAPTSMARCA2SMARCA4
SCHEMBL24187507 0.79 SIGMAR1 (0.47) CNR1AVPR1AMEN1KMT2AUSP30
SCHEMBL2017412 0.78 PAK1 (0.46) CNR1MEN1KMT2AUSP30PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC. 2013-11-21 US disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-8518933-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-08-27 US disclosed
EP-2522671-A2 Modulators of 5-HT receptors and methods of use thereof Abbott Laboratories (US) 2012-11-14 EP 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

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-20130310368-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CNR1 54/4885AVPR1A 345/4885MEN1 2826/4885
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CNR1 54/4885AVPR1A 345/4885MEN1 2826/4885
US-20100273767-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CNR1 54/4885AVPR1A 345/4885MEN1 2826/4885
US-20150175611-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D CNR1 54/4885AVPR1A 345/4885MEN1 2826/4885

“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.