SCHEMBL6319787

SCHEMBL6319787

CNCC1CCCN(C(=O)O)C1c1ccc(F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.40
OPRL1 P41146 2/20 0.39
RIPK1 Q13546 1/20 0.38
P2RX7 Q99572 1/20 0.36
EPHX2 P34913 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 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
SCHEMBL6319781 1.00 TACR1 (0.40) TACR1OPRL1RIPK1P2RX7EPHX2
SCHEMBL5744768 0.93 TACR1 (0.42) TACR1OPRL1EPHX2
SCHEMBL5744763 0.93 TACR1 (0.42) TACR1OPRL1EPHX2
SCHEMBL6309928 0.87 TACR1 (0.42) TACR1OPRL1RIPK1P2RX7
SCHEMBL6309926 0.87 TACR1 (0.42) TACR1OPRL1RIPK1P2RX7
SCHEMBL6311300 0.85 TACR1 (0.41) TACR1OPRL1RIPK1
SCHEMBL6311306 0.85 TACR1 (0.41) TACR1OPRL1RIPK1
SCHEMBL6316938 0.83 TACR1 (0.41) TACR1OPRL1
SCHEMBL6316933 0.83 TACR1 (0.41) TACR1OPRL1
SCHEMBL5748305 0.83 TACR1 (0.42) TACR1OPRL1RIPK1THRBALOX12

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 17/4885RIPK1 2280/4885

“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.