SCHEMBL4513692

SCHEMBL4513692

CN1CCC(Sc2ccc(NC(=O)C3CCCCC3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.52
▸ PTPN2 P17706 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ WNT1 P04628 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR1F P30939 1/20 0.42

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
SCHEMBL4507467 0.99 PTPN1 (0.50) PTPN1PTPN2ALDH1A1HPGDKDM4E
SCHEMBL4513475 0.97 PTPN1 (0.47) PTPN1PTPN2ALDH1A1HPGDKDM4E
SCHEMBL4515319 0.78 SMN1; SMN2 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13675119 0.78 HTR1F (0.50) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL10261136 0.77 HPGD (0.50) HPGDNPC1RAB9ASMN1; SMN2WNT1
SCHEMBL26944401 0.76 ALDH1A1 (0.54) PTPN1PTPN2ALDH1A1HPGDKDM4E
SCHEMBL4491851 0.76 NPC1 (0.54) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL13675108 0.76 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL4502359 0.75 HTR1F (0.43) NPC1RAB9ASMN1; SMN2HTR1AHTR1F
SCHEMBL4517381 0.75 HTR1F (0.55) ALDH1A1KDM4ENPC1RAB9AWNT1

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 PTPN1 3473/4885PTPN2 3828/4885ALDH1A1 1062/4885

“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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