SCHEMBL5725923

SCHEMBL5725923

O=C(CC(C(=O)c1ccc(F)cc1)c1ccncc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GRIN2B Q13224 9/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP2C19 P33261 1/20 0.49
CYP3A4 P08684 3/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
ENPP2 Q13822 1/20 0.41
KDM1A O60341 1/20 0.40

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
SCHEMBL22589355 0.91 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL22589283 0.90 CHRM2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL6950463 0.85 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL7672577 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL3099573 0.83 CHRM2 (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL5117324 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL5117318 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL22589174 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL7679543 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AGRIN2BCYP2D6
SCHEMBL9256664 0.77 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-07-21 US disclosed
WO-2020219591-A1 THERAPEUTIC METHODS AND COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 WO disclosed
EP-1278520-B1 DIARYL PIPERIDYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO INC (US) 2006-03-01 EP disclosed
US-6528531-B1 Coccidiosis in poultry; MERCK & CO., INC. 2003-03-04 US disclosed
US-6432980-B1 PREVENTION OF COCCIDIOSIS IN POULTRY MERCK & CO., INC. 2002-08-13 US disclosed
US-6291480-B1 CONTROL OF COCCIDIOSIS IN POULTRY. MERCK & CO., INC. 2001-09-18 US disclosed
WO-2001034150-A1 ALIPHATIC AMINE SUBSTITUTED PIPERIDYL DIARYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 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-20220227735-A1 THERAPEUTIC METHODS AND COMPOUNDS REN, FURIN, QTRT1 SMN1; SMN2 207/4885NPC1 175/4885RAB9A 259/4885

“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.