SCHEMBL4992960

SCHEMBL4992960

O=C(O)C(CNCc1ccccc1)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.66
▸ CPA1 P15085 6/20 0.58
▸ CPA3 P15088 3/20 0.58
▸ FOLH1 Q04609 3/20 0.58
▸ CPB1 P15086 1/20 0.58
▸ CPB2 Q96IY4 1/20 0.58
▸ SLC1A3 P43003 1/20 0.53
▸ SLC1A2 P43004 1/20 0.53
▸ SLC1A1 P43005 1/20 0.53
▸ NAALAD2 Q9Y3Q0 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ ANPEP P15144 1/20 0.50

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
SCHEMBL25187228 0.91 CYP1A2 (0.55) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1832075 0.84 PPARG (0.55) CYP1A2PPARGANPEP
SCHEMBL12188594 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7293687 0.83 SMN1; SMN2 (0.50) CYP1A2ANPEP
SCHEMBL27356033 0.81 SMN1; SMN2 (0.48) CYP1A2CPA3SLC1A1PPARGANPEP
SCHEMBL4664822 0.80 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL17995281 0.80 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6127015 0.79 ALDH1A1 (0.52) —
SCHEMBL22115491 0.78 CYP1A2 (0.95) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL9622038 0.78 CYP1A2 (0.86) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 — — US disclosed
EP-1635833-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-22 — — EP disclosed
WO-2004110451-A1 COMBINATIONS FOR OPIOID-BASED TREATMENT OF PAIN COMPRISING 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-23 — — WO disclosed
US-6521621-B1 Tachykinin antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2003-02-18 — — US disclosed
US-6197772-B1 TACHYKININS ANTAGONIST; ANTIINFLAMMATION AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2001-03-06 — — US disclosed
EP-0862566-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2000-01-12 — — EP disclosed
EP-0862566-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-09 — — EP disclosed
WO-1997016440-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 — — 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-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 CYP1A2 409/4885CPA1 558/4885CPA3 245/4885

“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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