SCHEMBL6739833

SCHEMBL6739833

CN1CC=C(c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.56
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
SLC6A4 P31645 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HTR1A P08908 1/20 0.45
ALOX15 P16050 1/20 0.45
HTR6 P50406 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 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
SCHEMBL28683578 0.78 GHSR (0.47) QDPRKDM4ELMNAALOX15HSD17B10
SCHEMBL4162861 0.78 QDPR (0.54) QDPRHTR1DHTR1BSLC6A4KDM4E
SCHEMBL28421403 0.76 QDPR (0.49) QDPRHTR1DHTR1BHTR6
SCHEMBL7501974 0.75 QDPR (0.48) QDPRHTR1DHTR1BSLC6A4
SCHEMBL22392118 0.74 JAK1 (0.53) QDPR
SCHEMBL7369176 0.73 QDPR (0.72) QDPRSLC6A4
SCHEMBL23123594 0.73 QDPR (0.52) QDPRHTR1DHTR1BSLC6A4
SCHEMBL19107631 0.73 QDPR (0.64) QDPRHTR1DHTR1BSLC6A4
SCHEMBL28422171 0.72 QDPR (0.55) QDPRHTR1DHTR1B
SCHEMBL7499403 0.72 QDPR (0.48) QDPRHTR1DHTR1B

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 7 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
EP-1196380-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS Allelix Corp. (CA) 2002-04-17 EP claimed
WO-2001005758-A2 INDOLES AND INDAZOLES FOR THE TREATMENT OF MIGRAINE NPS ALLELIX CORP. (CA) 2001-01-25 WO 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.