SCHEMBL6318565

SCHEMBL6318565

Cc1cc(F)ccc1C1C(CNCC2CC2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
HTR2A P28223 1/20 0.42
TACR1 P25103 11/20 0.39
HTR2C P28335 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL6318561 1.00 OPRL1 (0.43) OPRL1HTR2ATACR1HTR2CSIGMAR1
SCHEMBL6310898 0.90 TACR1 (0.40) OPRL1TACR1
SCHEMBL5744768 0.89 TACR1 (0.42) OPRL1HTR2ATACR1HTR2C
SCHEMBL5744763 0.89 TACR1 (0.42) OPRL1HTR2ATACR1HTR2C
SCHEMBL6312538 0.88 TACR1 (0.41) OPRL1TACR1
SCHEMBL6312540 0.88 TACR1 (0.41) OPRL1TACR1
SCHEMBL6310761 0.87 OPRL1 (0.45) OPRL1HTR2ATACR1HTR2CSIGMAR1
SCHEMBL6310758 0.87 OPRL1 (0.45) OPRL1HTR2ATACR1HTR2CSIGMAR1
SCHEMBL6310109 0.86 TACR1 (0.39) OPRL1TACR1
SCHEMBL5812972 0.86 TACR1 (0.42) OPRL1TACR1

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 OPRL1 17/4885HTR2A 234/4885TACR1 2/4885

“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.