SCHEMBL2277102

SCHEMBL2277102

O=C(N1CCC(c2cc(Cl)ccc2OS(=O)(=O)C(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44
DRD4 P21917 2/20 0.44
DRD5 P21918 2/20 0.44
DRD3 P35462 2/20 0.44
PTGDR2 Q9Y5Y4 8/20 0.41
PTGDR Q13258 5/20 0.41
RBP4 P02753 3/20 0.41
PTGER2 P43116 1/20 0.41
PROKR1 Q8TCW9 5/20 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
SCHEMBL2272643 0.84 RBP4 (0.53) PTGDR2PTGDRRBP4PROKR1
SCHEMBL2278508 0.84 DRD2 (0.60) DRD2DRD1DRD4DRD5DRD3
SCHEMBL11906574 0.80 PTGDR2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2274727 0.79 PROKR1 (0.43) RBP4PROKR1
SCHEMBL11891679 0.79 PTGDR2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2277918 0.75 HSD11B1 (0.46) RBP4PROKR1
SCHEMBL2719593 0.74 RBP4 (0.41) RBP4
SCHEMBL27651112 0.74 PTGDR2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5768898 0.74 PROKR1 (0.46) PROKR1
SCHEMBL2278132 0.71 CCR5 (0.42) PTGDR2PTGDRRBP4

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 5 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-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-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 DRD2 124/4885DRD1 327/4885DRD4 221/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A DRD2 100/4885DRD1 301/4885DRD4 173/4885

“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.