SCHEMBL4503651

SCHEMBL4503651

CN1CCC(Sc2cccc(NC(=O)c3ccc(F)cc3Cl)c2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 10/20 0.49
▸ WDR5 P61964 1/20 0.48
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AVPR2 P30518 1/20 0.41
▸ OXTR P30559 1/20 0.41
▸ AVPR1A P37288 1/20 0.41
▸ ACKR3 P25106 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCR8 P51685 1/20 0.39

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
SCHEMBL4507679 0.89 HTR1F (0.46) HTR1FWDR5HPGDMEN1MAPT
SCHEMBL12020872 0.83 HTR1F (0.51) HTR1FWDR5HPGDMEN1MAPT
SCHEMBL1197061 0.82 HTR1F (0.48) HTR1FWDR5HPGDMEN1MAPT
SCHEMBL10260508 0.81 HTR1F (0.56) HTR1FWDR5HPGDMAPTAVPR2
SCHEMBL4509299 0.81 HTR1F (0.46) HTR1FWDR5HPGDMAPTKMT2A
SCHEMBL4504390 0.81 HTR1F (0.49) HTR1FWDR5HPGDKMT2A
Hydrochloric Acid SCHEMBL4508907 0.80 HTR1F (0.55) HTR1FWDR5HPGDMAPTAVPR2
Hydrochloric Acid SCHEMBL4508902 0.80 HTR1F (0.57) HTR1FWDR5HPGDMAPTAVPR2
SCHEMBL4510234 0.78 HTR1F (0.55) HTR1FWDR5HPGDAVPR2AVPR1A
SCHEMBL1198127 0.77 WDR5 (0.47) HTR1FWDR5HPGDMEN1MAPT

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 4 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
CN-1777584-A As 5-HT1F(Piperidyloxy) phenyl, (peridyloxy) pyridyl, (peridylthio) phenyl and (peridylthio) pyridyl compounds of agonists LILLY CO ELI (US) 2006-05-24 — — CN 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 HTR1F 2/4885WDR5 4022/4885HPGD 1660/4885

“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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