SCHEMBL2273751

SCHEMBL2273751

O=C(N1CCC(c2ccccc2-c2ccccc2)C1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.51
HPGDS O60760 1/20 0.47
SCD5 Q86SK9 2/20 0.45
BRD4 O60885 1/20 0.44
KDM1A O60341 1/20 0.43
CYP46A1 Q9Y6A2 1/20 0.43
SCN9A Q15858 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
USP30 Q70CQ3 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
EPHX2 P34913 1/20 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
SCHEMBL2280008 0.83 RBP4 (0.50) RBP4HPGDSKDM1ASCN9ACYP2C19
SCHEMBL5770265 0.79 RBP4 (0.47) RBP4HPGDSKDM1ACYP2C19EPHX2
SCHEMBL2274616 0.79 MEN1 (0.60) RBP4
SCHEMBL2278508 0.78 DRD2 (0.60) RBP4HPGDSKDM1ANPC1RAB9A
SCHEMBL12396714 0.78 MEN1 (0.46) RBP4NPC1RAB9A
SCHEMBL2277918 0.77 HSD11B1 (0.46) RBP4HPGDS
SCHEMBL23203075 0.76 BRD4 (0.53) RBP4BRD4CYP46A1TSHRRECQL
SCHEMBL9671400 0.76 RBP4 (0.48) RBP4HPGDSSCN9ACYP2C19EPHX2
SCHEMBL571141 0.75 KDM1A (0.60) RBP4SCD5KDM1ANPC1RAB9A
SCHEMBL16446718 0.75 PROKR1 (0.54) RBP4HPGDSKDM1ASCN9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 RBP4 1535/4885HPGDS 670/4885SCD5 1231/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A RBP4 1691/4885HPGDS 674/4885SCD5 1227/4885

“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.