SCHEMBL6741089

SCHEMBL6741089

CC(C)n1ncc2ccc(CCNCC3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.41
HDAC8 Q9BY41 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMO O15229 1/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR4 Q13639 8/20 0.34
HTR2A P28223 5/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNH2 Q12809 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL6744650 0.83 PTGER3 (0.41) PTGER3HDAC8L3MBTL1KMO
SCHEMBL6741094 0.80 BRD4 (0.38) PTGER3L3MBTL1KMOADRA1DADRA1A
SCHEMBL15687398 0.75 KMO (0.45) PTGER3HDAC8KMOHTR4HTR2A
SCHEMBL30174486 0.75 KMO (0.45) PTGER3HDAC8KMOHTR4HTR2A
SCHEMBL12327554 0.73 HDAC8 (0.53) PTGER3HDAC8KMOHTR4HTR2A
SCHEMBL6743454 0.73 HRH3 (0.39) PTGER3HDAC8KMOSIGMAR1
SCHEMBL6745988 0.73 PTGER3 (0.37) PTGER3HDAC8KMOHTR2ACACNA1H
SCHEMBL20942425 0.72 HDAC8 (0.43) PTGER3HDAC8KMOHTR4HTR2A
SCHEMBL6746545 0.72 SIGMAR1 (0.48) SIGMAR1KCNH2
SCHEMBL6740845 0.71 HRH3 (0.40) PTGER3HDAC8KMOADRA1DADRA1A

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 PTGER3 49/4885HDAC8 428/4885L3MBTL1 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.