SCHEMBL5619397

SCHEMBL5619397

Cc1cc(F)ccc1[C@@H]1C(=O)CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.39
MTNR1B P49286 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
EPHX2 P34913 1/20 0.35
HTR7 P34969 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
SCHEMBL4025816 0.79 TACR1 (0.42) TACR1POLBKMT2A
SCHEMBL4026763 0.79 TACR1 (0.42) TACR1POLBKMT2A
SCHEMBL6064294 0.76 TACR1 (0.54) TACR1RIPK1
SCHEMBL6064290 0.76 TACR1 (0.54) TACR1RIPK1
SCHEMBL6550098 0.75 TACR1 (0.53) TACR1RIPK1
SCHEMBL2486149 0.74 TACR1 (0.41) TACR1MTNR1B
SCHEMBL2484439 0.74 TACR1 (0.41) TACR1MTNR1B
SCHEMBL2484442 0.74 TACR1 (0.41) TACR1MTNR1B
SCHEMBL5411632 0.73 TACR1 (0.58) TACR1
SCHEMBL5748393 0.73 TACR1 (0.43) TACR1OPRL1KMT2ARIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276509-B2 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2007-10-02 US disclosed
US-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2005-05-05 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-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins NPSR1, TACR1, OPRL1 TACR1 2/4885MTNR1B 331/4885OPRL1 3/4885

“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.