SCHEMBL6655873

SCHEMBL6655873

C=C(C)C(C)(CC(=O)OC)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 2/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL6653344 0.85 CYP2C19 (0.44) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL20669809 0.81 MEN1 (0.42) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL31625840 0.81 MEN1 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27266322 0.81 MEN1 (0.36) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3601 0.79 MEN1 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL10775 0.79 MEN1 (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27266048 0.76 MEN1 (0.34) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL31626027 0.73 MAPT (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL27267207 0.73 MAPT (0.40) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C19
SCHEMBL23704929 0.72 KIF11 (0.43) SMN1; SMN2MEN1KMT2ACYP1A2GAA

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
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 SMN1; SMN2 4043/4885MEN1 4700/4885KMT2A 1777/4885

“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.