SCHEMBL13555906

SCHEMBL13555906

CN(C(=O)c1ccc(-c2cccc(F)c2)cn1)C1CCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 5/20 0.50
▸ HTR2C P28335 3/20 0.50
▸ KCNH2 Q12809 3/20 0.50
▸ MLNR O43193 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ F2R P25116 5/20 0.46
▸ S1PR1 P21453 1/20 0.46
▸ GRM5 P41594 1/20 0.44
▸ MAP4K4 O95819 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43

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
SCHEMBL13388238 0.81 GRM5 (0.69) GRM5
SCHEMBL13555902 0.80 MLNR (0.48) MCHR1HTR2CKCNH2MLNRF2R
SCHEMBL13555964 0.80 GRM5 (0.67) MLNRGRM5MAP4K4GRIN2B
SCHEMBL13555876 0.78 MAP4K4 (0.56) NPC1RAB9AGRM5MAP4K4
SCHEMBL13555877 0.76 MLNR (0.45) MCHR1HTR2CKCNH2MLNRF2R
SCHEMBL18924349 0.75 ABL1 (0.47) MCHR1HTR2CKCNH2NPC1RAB9A
SCHEMBL486067 0.75 KMO (0.59) MAP4K4
SCHEMBL18924536 0.75 S1PR1 (0.43) MCHR1HTR2CKCNH2NPC1RAB9A
SCHEMBL18924458 0.74 DYRK1A (0.52) MCHR1HTR2CKCNH2NPC1RAB9A
SCHEMBL20460410 0.73 ALDH1A1 (0.47) MCHR1HTR2CKCNH2NPC1RAB9A

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-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-10-25 — — 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-20120270852-A1 PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES GRM5, GRM1, GRM3 MCHR1 270/4885HTR2C 62/4885KCNH2 330/4885

“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.

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