SCHEMBL4634513

SCHEMBL4634513

CC(C)(C)OC(=O)N1CCC(C=O)(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TACR1 P25103 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ STS P08842 1/20 0.45
▸ GPR119 Q8TDV5 3/20 0.44
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PTPRB P23467 1/20 0.42
▸ PTPN11 Q06124 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5671931 0.81 OPRD1 (0.47) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL13607137 0.80 JAK2 (0.48) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL4024667 0.80 OPRD1 (0.50) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL5672784 0.79 MEN1 (0.47) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL20492829 0.79 OPRD1 (0.49) TACR1OPRD1OPRK1TSHRALOX15
SCHEMBL17848356 0.78 TACR1 (0.51) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL1446888 0.78 TACR1 (0.51) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL16827186 0.78 TACR1 (0.48) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL16101520 0.78 OPRD1 (0.48) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL20644735 0.78 OPRD1 (0.45) JAK2JAK1TACR1OPRD1OPRK1

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-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 — — EP disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 — — US disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 — — 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-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 JAK2 317/4885JAK1 915/4885TACR1 149/4885

“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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