SCHEMBL6741339

SCHEMBL6741339

CCCn1ncc2ccc(CCN3CCCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.50
MCHR1 Q99705 5/20 0.47
SIGMAR1 Q99720 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MCHR2 Q969V1 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL19159359 0.84 HTR2A (0.45) CYP1A2L3MBTL1POLBRECQLHSD17B10
SCHEMBL6741338 0.79 HRH3 (0.50) HRH3SIGMAR1CYP1A2CYP2D6L3MBTL1
SCHEMBL6746000 0.77 HRH3 (0.40) HRH3SIGMAR1CYP2D6HSD17B10
SCHEMBL6744654 0.76 QPCT (0.38) MCHR1SIGMAR1MCHR2
SCHEMBL17678169 0.75 KMO (0.58) MCHR1SIGMAR1MCHR2
SCHEMBL6741094 0.74 BRD4 (0.38) MCHR1SIGMAR1MCHR2L3MBTL1POLB
SCHEMBL6740873 0.73 KMO (0.39) MCHR1POLB
SCHEMBL6739781 0.73 KMO (0.56) MCHR1HSD17B10
SCHEMBL18731898 0.73 KMO (0.56) HRH3MCHR1SIGMAR1MCHR2L3MBTL1
SCHEMBL28264567 0.73 SIGMAR1 (0.55) HRH3SIGMAR1CYP1A2CYP2D6L3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HRH3 21/4885MCHR1 457/4885SIGMAR1 481/4885

“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.