SCHEMBL6741060

SCHEMBL6741060

CC(C)n1ccc2ccc(C3=CCN(C)CC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.51
HTR1D P28221 3/20 0.40
HTR1B P28222 1/20 0.38
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37

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
SCHEMBL6743421 0.79 CHRNB2 (0.43) HTR1D
SCHEMBL7252960 0.77 HTR1D (0.47) QDPRHTR1DHTR1B
SCHEMBL7256573 0.77 HTR1D (0.47) QDPRHTR1DHTR1B
SCHEMBL6741293 0.77 QDPR (0.49) QDPRHTR1DHTR1B
SCHEMBL6742178 0.75 QDPR (0.47) QDPR
SCHEMBL6845729 0.75 QDPR (0.47) QDPRHTR1DHTR1BTGFBR1ACVR1
SCHEMBL6781491 0.74 HTR6 (0.54) QDPRHTR1D
SCHEMBL6741188 0.73 QDPR (0.45) QDPRHTR1DHTR1BTGFBR1ACVR1
SCHEMBL6745981 0.72 QDPR (0.44) QDPRHTR1D
SCHEMBL6744212 0.72 QDPR (0.43) QDPR

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-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US claimed
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 US disclosed
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP disclosed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 QDPR 495/4885HTR1D 150/4885HTR1B 167/4885

“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.