SCHEMBL4634724

SCHEMBL4634724

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
THRB P10828 1/20 0.40
JMJD7 P0C870 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CTSB P07858 2/20 0.39
NPC1 O15118 1/20 0.39
BRD4 O60885 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
CTH P32929 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
SCHEMBL4635329 0.89 KDM4E (0.43) TDP1MAPTLMNAKDM4EALDH1A1
SCHEMBL5671951 0.87 PKM (0.45) TDP1MAPTLMNAKDM4EALDH1A1
SCHEMBL4635736 0.78 ALDH1A1 (0.45) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL4634108 0.77 ENPP2 (0.44) TDP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL4635591 0.77 ENPP2 (0.61) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4634615 0.76 SMN1; SMN2 (0.46) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4635916 0.76 KDM4E (0.41) MAPTLMNAKDM4EALDH1A1HTT
SCHEMBL4634711 0.76 ENPP2 (0.55) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4634653 0.75 KDM4E (0.42) LMNAKDM4EALDH1A1HTT
SCHEMBL4635615 0.75 GPBAR1 (0.44) MAPTLMNAKDM4EALDH1A1NPC1

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 TDP1 4142/4885MAPT 3394/4885LMNA 4677/4885

“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.