SCHEMBL4515319

SCHEMBL4515319

CN1CCC(Sc2ccc(NC(=O)c3ccccc3Cl)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PTBP1 P26599 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP11B2 P19099 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BDKRB1 P46663 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 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
SCHEMBL4498386 0.88 RAB9A (0.55) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL4491851 0.88 NPC1 (0.54) SMN1; SMN2RAB9ALMNATP53TSHR
SCHEMBL4515537 0.82 RAB9A (0.42) SMN1; SMN2RAB9AGAAL3MBTL1ALDH1A1
SCHEMBL4502359 0.80 HTR1F (0.43) SMN1; SMN2RAB9AL3MBTL1NPC1
SCHEMBL4517381 0.80 HTR1F (0.55) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL13675117 0.80 NPC1 (0.46) SMN1; SMN2RAB9ALMNATP53GAA
SCHEMBL4513475 0.79 PTPN1 (0.47) RAB9ATP53L3MBTL1NPC1ALDH1A1
SCHEMBL4507467 0.79 PTPN1 (0.50) SMN1; SMN2RAB9ATP53NPC1ALDH1A1
SCHEMBL4515254 0.79 KCNK3 (0.50) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL4513692 0.78 PTPN1 (0.52) SMN1; SMN2RAB9ATP53NPC1ALDH1A1

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-1626958-B1 (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT 1F AGONISTS LILLY CO ELI (US) 2012-06-27 — — EP disclosed
US-7608629-B2 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2009-10-27 — — US disclosed
US-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists ELILILLY AND COMPANY (US) 2006-09-21 — — 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-20060211734-A1 (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists HTR1A, HTR1F, HTR5A SMN1; SMN2 1326/4885RAB9A 1917/4885LMNA 787/4885

“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.

Send feedback