SCHEMBL5744768

SCHEMBL5744768

CNC[C@@H]1CCN(C(=O)O)[C@H]1c1ccc(F)cc1C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.42
OPRL1 P41146 2/20 0.40
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL5744763 1.00 TACR1 (0.42) TACR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL6319787 0.93 TACR1 (0.40) TACR1OPRL1EPHX2
SCHEMBL6319781 0.93 TACR1 (0.40) TACR1OPRL1EPHX2
SCHEMBL6318561 0.89 OPRL1 (0.43) TACR1OPRL1HTR2AHTR2C
SCHEMBL6310761 0.89 OPRL1 (0.45) TACR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL6318565 0.89 OPRL1 (0.43) TACR1OPRL1HTR2AHTR2C
SCHEMBL6310758 0.89 OPRL1 (0.45) TACR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL6310109 0.88 TACR1 (0.39) TACR1OPRL1
SCHEMBL6310116 0.88 TACR1 (0.39) TACR1OPRL1
SCHEMBL6316938 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638935-A1 NK1 ANTAGONIST Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 US disclosed
WO-2004110996-A1 NK1 ANTAGONIST PFIZER PRODUCTS INC. (US) 2004-12-23 WO 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 17/4885HTR2A 234/4885

“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.