SCHEMBL6318088

SCHEMBL6318088

Cc1cc(F)ccc1C1C(CN2CCC(C)CC2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
OPRM1 P35372 2/20 0.41
MEN1 O00255 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
OPRL1 P41146 3/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 4/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6318090 1.00 KCNH2 (0.41) KCNH2OPRM1MEN1CHRM2HTR1A
SCHEMBL6309919 0.91 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6309911 0.91 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6394116 0.91 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6311590 0.91 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6311587 0.91 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6397911 0.90 TACR1 (0.41) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6312728 0.89 TACR1 (0.40) KCNH2OPRM1OPRL1TACR1KDM4E
SCHEMBL6397078 0.89 OPRL1 (0.39) KCNH2OPRM1KMT2AOPRL1TACR1
SCHEMBL5744911 0.89 TACR1 (0.40) KCNH2OPRM1OPRL1TACR1KDM4E

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 KCNH2 87/4885OPRM1 145/4885MEN1 861/4885

“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.