SCHEMBL3783758

SCHEMBL3783758

CC(=O)N1CCc2cc(O)c(Cl)cc2C(C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
DRD1 P21728 9/20 0.44
DRD2 P14416 6/20 0.43
DRD5 P21918 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
GPR183 P32249 1/20 0.43
APLNR P35414 1/20 0.43
GLP1R P43220 1/20 0.43

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
SCHEMBL1095022 0.85 ESR1 (0.45) DRD1DRD2DRD5CYP1A2CYP2D6
SCHEMBL3780288 0.83 HTR2A (0.52) DRD1DRD2DRD5MEN1KMT2A
SCHEMBL16582898 0.81 ESR2 (0.43) DRD1DRD2DRD5
SCHEMBL3782373 0.80 NOTUM (0.50) DRD2METALK
SCHEMBL16408968 0.80 NOTUM (0.50) DRD2METALK
SCHEMBL16408948 0.80 NOTUM (0.50) DRD2METALK
SCHEMBL3782375 0.80 NOTUM (0.50) DRD2METALK
SCHEMBL23745324 0.75 ESR1 (0.45) DRD1DRD2DRD5CYP1A2CYP2D6
SCHEMBL31121185 0.75 ESR1 (0.45) DRD1DRD2DRD5CYP1A2CYP2D6
SCHEMBL18293067 0.73 NOTUM (0.57) DRD1TSHRKMT2ALMNAMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
EP-2265587-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009105206-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2009-08-27 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 (1 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-20100331312-A1 MODULATORS OF THE HISTAMINE H3 RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 HSP90AA1 1100/4885DRD1 382/4885DRD2 324/4885

“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.