SCHEMBL6862645

SCHEMBL6862645

CC1CN(c2ccc(C#N)cc2)C(C)CN1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.43
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.36
PIM1 P11309 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL6862646 1.00 HRH3 (0.43) HRH3KCNH2ALDH1A1PIM1KDM4E
SCHEMBL6862651 1.00 HRH3 (0.43) HRH3KCNH2ALDH1A1PIM1KDM4E
SCHEMBL4597254 0.81 AR (0.38) ALDH1A1PIM1
SCHEMBL3568982 0.81 AR (0.38) ALDH1A1PIM1
SCHEMBL4597253 0.81 AR (0.38) ALDH1A1PIM1
SCHEMBL12916351 0.80 PIM1 (0.39) ALDH1A1PIM1POLBHTR2AHTR2C
SCHEMBL13808671 0.80 PIM1 (0.39) ALDH1A1PIM1POLBHTR2AHTR2C
SCHEMBL22542012 0.80 PIM1 (0.39) ALDH1A1PIM1POLBHTR2AHTR2C
SCHEMBL24028089 0.79 PIM1 (0.38) ALDH1A1PIM1KDM4EHTR2AHTR2C
SCHEMBL4935360 0.79 PIM1 (0.44) HRH3PIM1HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed

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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 HRH3 3229/4885KCNH2 3221/4885ALDH1A1 1496/4885

“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.