SCHEMBL6311587

SCHEMBL6311587

Cc1cc(F)ccc1[C@H]1[C@H](CN2CCC2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.41
OPRL1 P41146 3/20 0.39
KCNH2 Q12809 2/20 0.39
OPRM1 P35372 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
SLC6A1 P30531 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL6394116 1.00 TACR1 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6311590 1.00 TACR1 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6309911 0.98 TACR1 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6309919 0.98 TACR1 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6397911 0.97 TACR1 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6312728 0.91 TACR1 (0.40) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL5744911 0.91 TACR1 (0.40) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6397078 0.91 OPRL1 (0.39) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6318090 0.91 KCNH2 (0.41) TACR1OPRL1KCNH2OPRM1DRD2
SCHEMBL6318088 0.91 KCNH2 (0.41) TACR1OPRL1KCNH2OPRM1DRD2

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 TACR1 2/4885OPRL1 17/4885KCNH2 87/4885

“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.