SCHEMBL4634342

SCHEMBL4634342

CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.46
KDM1A O60341 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
RORC P51449 4/20 0.44
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL4633896 0.89 KDM1A (0.46) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL3356420 0.89 KDM1A (0.46) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL14902527 0.88 OPRD1 (0.53) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL5674689 0.86 MEN1 (0.45) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL4634666 0.85 HDAC2 (0.48) HDAC2HDAC1KDM1ACNR1CNR2
Hydrochloric Acid SCHEMBL5812318 0.84 HDAC2 (0.47) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL3353600 0.84 RORC (0.46) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL5672759 0.84 CNR1 (0.45) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL4635507 0.84 KDM1A (0.43) HDAC2HDAC1KDM1ACNR1CNR2
SCHEMBL14357682 0.84 KDM1A (0.48) HDAC2HDAC1KDM1ACNR1CNR2

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 HDAC2 698/4885HDAC1 532/4885KDM1A 3174/4885

“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.