SCHEMBL7258385

SCHEMBL7258385

CC(Cn1ccc2ccc(Br)cc21)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2A P28223 3/20 0.50
HTR7 P34969 4/20 0.49
PRMT5 O14744 7/20 0.47
NTSR1 P30989 1/20 0.47
PRMT1 Q99873 1/20 0.44
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
APAF1 O14727 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
KMO O15229 1/20 0.41

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
SCHEMBL3056950 0.83 HTR2C (0.48) HTR2CHTR2ANTSR1APAF1ITGB3
SCHEMBL7253587 0.82 HTR2C (0.55) HTR2CHTR2AHTR7PRMT5PRMT1
SCHEMBL7253595 0.82 HTR2C (0.55) HTR2CHTR2AHTR7PRMT5PRMT1
SCHEMBL7253589 0.82 HTR2C (0.55) HTR2CHTR2AHTR7PRMT5PRMT1
SCHEMBL24142902 0.82 HTR7 (0.63) HTR2CHTR2AHTR7PRMT5PRMT1
SCHEMBL27642179 0.78 HTR2C (0.48) HTR2CHTR2AHTR7PRMT5NTSR1
SCHEMBL7253255 0.78 PRMT5 (0.48) HTR2CHTR2AHTR7PRMT5NTSR1
SCHEMBL23631667 0.78 NTSR1 (0.63) HTR7NTSR1PSMB1PSMB5
SCHEMBL23631668 0.78 NTSR1 (0.63) HTR7NTSR1PSMB1PSMB5
SCHEMBL26683806 0.77 KMT2A (0.60) HTR7PRMT5NTSR1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 US 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR2C 127/4885HTR2A 425/4885HTR7 73/4885

“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.