SCHEMBL6652679

SCHEMBL6652679

Cc1c(C=O)nc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CXCR2 P25025 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MDM2 Q00987 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PDE6D O43924 1/20 0.40
ALDH2 P05091 1/20 0.40
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL8989145 0.83 KDM4E (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL6631450 0.83 KMT2A (0.49) CFTRKMT2AMEN1POLBALDH1A1
SCHEMBL8989205 0.76 TDP2 (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL7241212 0.74 CTSS (0.50) CFTRKMT2AMEN1POLBALDH1A1
SCHEMBL3108406 0.73 CFTR (0.55) CFTRKMT2AMEN1POLBALDH1A1
SCHEMBL8989227 0.73 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL8989105 0.72 KDM4E (0.41) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL1104390 0.70 CFTR (0.48) CFTRKMT2AMEN1POLBALDH1A1
SCHEMBL28453413 0.68 ALDH1A1 (0.63) CFTRALDH1A1LMNANPSR1KDM4E
SCHEMBL19032847 0.68 CFTR (1.00) CFTRALDH1A1LMNAPDE6DALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1500086-A Aminopiperidine derivatives 霍夫曼-拉罗奇有限公司 2004-05-26 CN disclosed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 CFTR 1510/4885KMT2A 3009/4885MEN1 4879/4885

“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.