SCHEMBL4635390

SCHEMBL4635390

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COc2ccc(Br)cc2C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
RECQL P46063 1/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4634630 0.89 HTT (0.43) PTGDR2ALDH1A1HPGDNPSR1KDM4E
SCHEMBL4634923 0.87 MAPK1 (0.49) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL5673235 0.86 RECQL (0.44) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4634364 0.85 PTGDR2 (0.43) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4634928 0.83 MAPK1 (0.41) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4634536 0.83 RECQL (0.40) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4634773 0.83 MAPK1 (0.41) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4633734 0.83 PTGDR2 (0.41) PTGDR2RECQLALDH1A1HPGDNPSR1
SCHEMBL4633754 0.82 KDM4E (0.46) ALDH1A1HPGDNPSR1KDM4EMAPT
SCHEMBL4635364 0.82 ALDH1A1 (0.40) PTGDR2RECQLALDH1A1HPGDNPSR1

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 PTGDR2 75/4885RECQL 3944/4885ALDH1A1 296/4885

“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.