SCHEMBL6860874

SCHEMBL6860874

C[C@@H]1CN[C@@H](C)CN1c1ccc(C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.39
TNK1 Q13470 4/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
XIAP P98170 3/20 0.36
BIRC2 Q13490 3/20 0.36
CHRM2 P08172 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
TNK2 Q07912 2/20 0.35
PIM1 P11309 4/20 0.34
PIM2 Q9P1W9 4/20 0.34
CHRM4 P08173 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 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
SCHEMBL6860870 1.00 PARP1 (0.39) PARP1TNK1HTR2AHTR2CHTR2B
SCHEMBL6860879 1.00 PARP1 (0.39) PARP1TNK1HTR2AHTR2CHTR2B
SCHEMBL6859245 0.84 HSD11B1 (0.42) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL6859249 0.84 HSD11B1 (0.42) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL6859247 0.84 HSD11B1 (0.42) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL13419479 0.81 PIM1 (0.36) HTR2AHTR2CHTR2BXIAPBIRC2
SCHEMBL12182668 0.78 ALDH1A1 (0.44) PARP1TNK1HTR2CXIAPBIRC2
SCHEMBL12182701 0.78 ALDH1A1 (0.44) PARP1TNK1HTR2CXIAPBIRC2
SCHEMBL6862646 0.77 HRH3 (0.43) HTR2AHTR2CHTR2BPIM1ALDH1A1
SCHEMBL6862651 0.77 HRH3 (0.43) HTR2AHTR2CHTR2BPIM1ALDH1A1

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 PARP1 2084/4885TNK1 1334/4885HTR2A 1362/4885

“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.