SCHEMBL6653344

SCHEMBL6653344

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53BP1 Q12888 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6655873 0.85 SMN1; SMN2 (0.38) CYP2C19SMN1; SMN2MEN1KMT2ATP53BP1
SCHEMBL16183174 0.80 CYP2C19 (0.50) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL30673452 0.80 CYP2C19 (0.50) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL27269593 0.79 CYP2C19 (0.41) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL31626133 0.79 CYP2C19 (0.41) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL21981930 0.77 CYP2C19 (0.47) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL21981929 0.77 CYP2C19 (0.47) CYP2C19HIF1AKIF11SMN1; SMN2MEN1
SCHEMBL31320998 0.75 RIPK1 (0.44) CYP2C19KIF11SMN1; SMN2MEN1KMT2A
SCHEMBL27266784 0.73 ALDH1A1 (0.47) CYP2C19KIF11SMN1; SMN2MEN1KMT2A
SCHEMBL31625977 0.73 ALDH1A1 (0.47) CYP2C19KIF11SMN1; SMN2MEN1KMT2A

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 CYP2C19 504/4885HIF1A 3256/4885KIF11 4364/4885

“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.