SCHEMBL2269413

SCHEMBL2269413

Cc1ccccc1-c1ccccc1C1CCN(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ATM Q13315 1/20 0.49
DRD1 P21728 1/20 0.43
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
SIGMAR1 Q99720 3/20 0.41

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
SCHEMBL15830146 0.86 KDM4E (0.54) KDM4EATMHTR2CSIGMAR1
SCHEMBL10212349 0.86 KDM4E (0.54) KDM4EATMHTR2CSIGMAR1
SCHEMBL2277788 0.81 KDM4E (0.47) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL2270924 0.81 HTR7 (0.44) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL2271779 0.80 HTR1A (0.63) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL2272834 0.78 CHRM3 (0.50) KDM4EATMDRD1HTR2ASIGMAR1
SCHEMBL13416028 0.77 KDM4E (0.49) KDM4EHTR2AHTR2C
SCHEMBL2273802 0.77 HTR2A (0.53) KDM4EATMHTR1AHTR1DHTR1B
SCHEMBL24519848 0.76 KDM4E (0.54) KDM4EATMSIGMAR1
SCHEMBL13085385 0.75 HTR2C (0.58) HTR2AHTR2CSIGMAR1

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 KDM4E 3969/4885ATM 4082/4885DRD1 327/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A KDM4E 3927/4885ATM 4050/4885DRD1 301/4885

“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.