SCHEMBL6601797

SCHEMBL6601797

CCOc1ccc(C(=O)Nc2ccc3c(c2Cl)CN(C)CC3)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HSD17B10 Q99714 2/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
NR4A1 P22736 1/20 0.55
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TP53 P04637 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 2/20 0.45

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
SCHEMBL6601581 0.86 MAPT (0.47) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7657674 0.84 MAPT (0.49) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6602268 0.82 MAPT (0.49) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6293914 0.82 MAPT (0.68) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6607827 0.81 MAPT (0.38) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL8145894 0.81 MAPT (0.38) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7951772 0.80 MAPT (0.56) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6298321 0.80 MAPT (0.60) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6601028 0.78 HDAC8 (0.45) MAPTSMN1; SMN2CYP3A4TP53HDAC8
SCHEMBL7951754 0.78 MAPT (0.55) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 EP claimed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 US claimed
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 EP disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1042296-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-10-11 EP disclosed
WO-1999031068-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 MAPT 4532/4885SMN1; SMN2 4310/4885HSD17B10 1605/4885

“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.