SCHEMBL4635591

SCHEMBL4635591

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.61
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FKBP1A P62942 1/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL4634711 0.89 ENPP2 (0.55) ENPP2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4634714 0.86 POLB (0.52) ENPP2KMT2AKDM4ERAB9AALDH1A1
SCHEMBL4634615 0.86 SMN1; SMN2 (0.46) ENPP2KDM4ENPC1RAB9AALDH1A1
SCHEMBL4634108 0.85 ENPP2 (0.44) ENPP2KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4634824 0.84 MDH1 (0.48) ENPP2KMT2AALDH1A1SMN1; SMN2FKBP1A
SCHEMBL4635527 0.81 FKBP1A (0.44) ENPP2KMT2AKDM4ERAB9AALDH1A1
SCHEMBL4635164 0.78 ALDH1A1 (0.47) KMT2AALDH1A1SMN1; SMN2FKBP1AMEN1
SCHEMBL4635611 0.78 CYP3A4 (0.44) ENPP2KMT2AKDM4ENPC1RAB9A
SCHEMBL4634118 0.77 NPC1 (0.43) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL4635888 0.77 CYP3A4 (0.46) KMT2AKDM4ENPC1RAB9AALDH1A1

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 6 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 claimed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US claimed
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 claimed
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 ENPP2 1944/4885KMT2A 4584/4885KDM4E 4378/4885

“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.