SCHEMBL6741338

SCHEMBL6741338

CC(C)n1ncc2ccc(CCN3CCCC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.50
SIGMAR1 Q99720 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLC6A3 Q01959 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6746545 0.91 SIGMAR1 (0.48) HRH3SIGMAR1CYP1A2CYP2D6
SCHEMBL6741339 0.79 HRH3 (0.50) HRH3SIGMAR1L3MBTL1MBTD1L3MBTL3
SCHEMBL12327554 0.77 HDAC8 (0.53) CYP1A2
SCHEMBL6743454 0.77 HRH3 (0.39) HRH3SIGMAR1CYP1A2
SCHEMBL15687398 0.76 KMO (0.45)
SCHEMBL20942425 0.76 HDAC8 (0.43)
SCHEMBL30174486 0.76 KMO (0.45)
SCHEMBL6740845 0.75 HRH3 (0.40) HRH3SIGMAR1CYP3A4CYP2D6
SCHEMBL6744650 0.74 PTGER3 (0.41) L3MBTL1TDP1
SCHEMBL19966783 0.73 KMO (0.40)

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 21/4885SIGMAR1 481/4885L3MBTL1 3416/4885

“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.