SCHEMBL6598310

SCHEMBL6598310

COc1cccc(C2(c3ccc(Br)cc3)CNC(=O)CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.36
MAOB P27338 1/20 0.36
KDM1A O60341 1/20 0.36
ROCK2 O75116 2/20 0.35
DDB1 Q16531 2/20 0.35

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
SCHEMBL6598528 0.79 SLC6A2 (0.41) CXCR3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7913428 0.70 PDE4A (0.52) MAPTKMT2AALDH1A1
SCHEMBL7913417 0.69 PDE4B (0.46) MAPTKMT2AALDH1A1
SCHEMBL31316550 0.68 OPRD1 (0.44) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL11425945 0.68 SLC6A2 (0.49) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6600784 0.65 CXCR3 (0.41) CXCR3SLC6A2SLC6A3SMN1; SMN2MEN1
SCHEMBL6839915 0.63 ADAM17 (0.45) CXCR3MAOBADAM17
SCHEMBL3991201 0.63 ADAMTS5 (0.47) MAPTAPPMAOBALDH1A1
SCHEMBL4239040 0.63 CYP2C9 (0.47) CXCR3MAPTMAOBKDM1AADAM17
SCHEMBL12204727 0.62 ALOX5 (0.41) CXCR3SLC6A2SLC6A3MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140835-B1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives PFIZER INC 2004-04-01 US disclosed
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 CXCR3 897/4885CHRNA1 79/4885CHRNG 249/4885

“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.