SCHEMBL7253280

SCHEMBL7253280

CC(NC1CC1)c1cc2ccc(C3(O)CCSCC3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 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
SCHEMBL7253545 0.76 DRD4 (0.39)
SCHEMBL7256853 0.65 HTR1D (0.35) HTR1D
SCHEMBL7441579 0.60 PDE4A (0.55)
SCHEMBL25356567 0.58 OPRM1 (0.46) HTR1D
SCHEMBL10311833 0.58 OPRM1 (0.50) HTR1D
SCHEMBL28970485 0.55 OPRM1 (0.51)
SCHEMBL2977829 0.55 GAA (0.44)
SCHEMBL7945827 0.54 OPRL1 (0.52)
SCHEMBL3038007 0.53 HTR1D (0.36) HTR1D
SCHEMBL16380960 0.53 CA2 (0.46)

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
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
EP-1140074-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2001-10-10 EP disclosed
WO-2000038677-A1 INDOLE AND INDOLIZIDINE DERIVATIVES FOR THE TREATMENT OF MIGRAINE ALLELIX BIOPHARMACEUTICALS INC. (CA) 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR1D 128/4885

“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.