SCHEMBL6745988

SCHEMBL6745988

CC(C)n1ncc2ccc(CCC3C=NCC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.37
HDAC8 Q9BY41 1/20 0.33
KMO O15229 1/20 0.33
PIK3CD O00329 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CACNA1H O95180 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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 0.75 PTGER3 (0.41) PTGER3HDAC8KMOPIK3CDLRRK2
SCHEMBL6741089 0.73 PTGER3 (0.41) PTGER3HDAC8KMOHTR2ACACNA1H
SCHEMBL12327554 0.72 HDAC8 (0.53) PTGER3HDAC8KMOPDE1APDE1B
SCHEMBL6743454 0.72 HRH3 (0.39) PTGER3HDAC8KMOPDE1APDE1B
SCHEMBL19966783 0.72 KMO (0.40) PTGER3HDAC8KMOPDE1APDE1B
SCHEMBL30174486 0.71 KMO (0.45) PTGER3HDAC8KMOPIK3CDPDE1A
SCHEMBL20942425 0.71 HDAC8 (0.43) PTGER3HDAC8KMOPDE1APDE1B
SCHEMBL15687398 0.71 KMO (0.45) PTGER3HDAC8KMOPIK3CDPDE1A
SCHEMBL6746545 0.71 SIGMAR1 (0.48)
SCHEMBL6740845 0.70 HRH3 (0.40) PTGER3HDAC8KMOPDE1APDE1B

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 428/4885KMO 453/4885

“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.