SCHEMBL6600784

SCHEMBL6600784

COc1cccc(C2(c3ccc(Br)cc3)CN(CC3CC3)CCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.41
KDM2B Q8NHM5 7/20 0.39
SLC6A4 P31645 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
ROCK2 O75116 1/20 0.36
IGF1R P08069 1/20 0.36
OPRL1 P41146 1/20 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
SCHEMBL6599493 0.85 KDM2B (0.46) KDM2BMEN1KMT2ASMN1; SMN2
SCHEMBL6599241 0.82 OPRD1 (0.54) KDM2BOPRM1OPRK1
SCHEMBL6598528 0.71 SLC6A2 (0.41) CXCR3SLC6A4SLC6A2SLC6A3
SCHEMBL11551982 0.67 SLC6A4 (0.62) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL8792919 0.67 MEN1 (0.48) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL8792928 0.67 MEN1 (0.48) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL11182951 0.66 OPRM1 (0.72) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11549862 0.66 SLC6A4 (0.61) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL11534790 0.66 OPRM1 (0.72) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL11182953 0.66 OPRM1 (0.72) KDM2BSLC6A4MEN1KMT2ASMN1; SMN2

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 897/4885KDM2B 3771/4885SLC6A4 582/4885

“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.