SCHEMBL2272834

SCHEMBL2272834

Cc1cccc(-c2ccccc2C2CCN(C)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.50
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
BRD4 O60885 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
SCHEMBL2277788 0.84 KDM4E (0.47) HTR2ASIGMAR1KDM4EATMBRD4
SCHEMBL2270924 0.83 HTR7 (0.44) HTR2AKDM4EATMBRD4
SCHEMBL2269413 0.78 KDM4E (0.49) DRD1HTR2ASIGMAR1KDM4EATM
SCHEMBL28740554 0.77 BRD4 (0.52) HTR2ABRD4
SCHEMBL2273802 0.76 HTR2A (0.53) CHRM3HTR2AKDM4EATM
SCHEMBL15118589 0.76 BRD4 (0.54) CHRM3HTR2ABRD4
SCHEMBL15829965 0.74 DRD2 (0.60) DRD1HTR2A
SCHEMBL15830146 0.74 KDM4E (0.54) SIGMAR1KDM4EATM
SCHEMBL10212349 0.74 KDM4E (0.54) SIGMAR1KDM4EATM
SCHEMBL2279377 0.73 HTR2C (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US claimed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO disclosed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 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 (2 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-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS HTR1A, HTR2A, HTR6 CHRM3 136/4885DRD1 327/4885HTR2A 2/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A CHRM3 135/4885DRD1 301/4885HTR2A 3/4885

“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.