SCHEMBL9043644

SCHEMBL9043644

OC[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.63
MAOB P27338 10/20 0.63
HTR2B P41595 6/20 0.63
HTR2A P28223 4/20 0.63
MAOA P21397 7/20 0.48
KDM1A O60341 5/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2B6 P20813 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2A6 P11509 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL16761697 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL7492289 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL1834561 1.00 HTR2C (0.63) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL21480339 0.88 KDM1A (0.55) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL20208695 0.88 KDM1A (0.55) HTR2CMAOBHTR2BHTR2AKDM1A
SCHEMBL25262357 0.83 HTR2C (0.59) HTR2CMAOBHTR2BHTR2AMAOA
SCHEMBL17080568 0.78 HTR2C (0.41) HTR2CMAOBHTR2BHTR2ASLC6A2
SCHEMBL19262111 0.78 HTR2C (0.63) HTR2CHTR2BHTR2ASLC6A2SLC6A3
SCHEMBL16585035 0.78 HTR2C (0.66) HTR2CHTR2BHTR2AKDM1ASLC6A2
SCHEMBL2826042 0.78 HTR2C (0.66) HTR2CMAOBHTR2BHTR2AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370388-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2019-08-06 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
WO-2013102242-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-07-11 WO disclosed
EP-1656379-B1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2007-01-10 EP disclosed
EP-0728136-A1 N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1996-08-28 EP disclosed
WO-1995013279-A1 N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-05-18 WO disclosed
US-5385833-A Enzymatic synthesis of alcohols from carbonyl compounds THE SCRIPPS RESEARCH INSTITUTE (US) 1995-01-31 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-10370388-B2 Heterocyclic compounds and methods of their use AGTR2, AGTR1, BDKRB2 HTR2C 158/4885MAOB 1477/4885HTR2B 413/4885
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 HTR2C 154/4885MAOB 1454/4885HTR2B 397/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 HTR2C 154/4885MAOB 1454/4885HTR2B 397/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 HTR2C 2891/4885MAOB 1989/4885HTR2B 3027/4885

“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.