SCHEMBL6310898

SCHEMBL6310898

Cc1cc(F)ccc1C1C(CNCC(C)C)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.40
CYP2D6 P10635 2/20 0.39
OPRL1 P41146 1/20 0.37

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 0.90 OPRL1 (0.43) TACR1OPRL1
SCHEMBL6318565 0.90 OPRL1 (0.43) TACR1OPRL1
SCHEMBL6316933 0.87 TACR1 (0.41) TACR1CYP2D6OPRL1
SCHEMBL6316938 0.87 TACR1 (0.41) TACR1CYP2D6OPRL1
SCHEMBL5744768 0.86 TACR1 (0.42) TACR1OPRL1
SCHEMBL5744763 0.86 TACR1 (0.42) TACR1OPRL1
SCHEMBL6312538 0.85 TACR1 (0.41) TACR1OPRL1
SCHEMBL6312540 0.85 TACR1 (0.41) TACR1OPRL1
SCHEMBL6318273 0.84 TACR1 (0.41) TACR1OPRL1
SCHEMBL6318270 0.84 TACR1 (0.41) TACR1OPRL1

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 2/4885CYP2D6 2419/4885OPRL1 17/4885

“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.