SCHEMBL4634362

SCHEMBL4634362

CC(=O)NC1(Cc2ccc(F)cc2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MMP3 P08254 1/20 0.38
MMP10 P09238 1/20 0.38
ADRB2 P07550 2/20 0.36
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
Hydrochloric Acid SCHEMBL5811140 0.99 CNR2 (0.40) CNR2MMP3MMP10ADRB2HTT
SCHEMBL8125084 0.85 ALDH1A1 (0.46) ADRB2HTTALDH1A1CYP2D6SLC6A2
SCHEMBL5807513 0.80 HTT (0.41) CNR2ADRB2HTTALDH1A1
Acetic Acid SCHEMBL5395920 0.77 SSTR5 (0.40) MMP3MMP10KDM1AMAOBRCOR1
SCHEMBL31682182 0.75 SSTR4 (0.39) CNR2MMP3MMP10CYP2D6SLC6A2
SCHEMBL5810393 0.74 OPRM1 (0.40) MMP3MMP10HTTALDH1A1LMNA
SCHEMBL5395923 0.74 AQP1 (0.36) MMP3MMP10KDM1AMAOBRCOR1
SCHEMBL5807947 0.74 HDAC2 (0.45) CNR2KDM1A
SCHEMBL11989399 0.73 ALDH1A1 (0.51) ADRB2HTTALDH1A1MAOB
Hydrochloric Acid SCHEMBL5810389 0.73 OPRM1 (0.39) MMP3MMP10HTTALDH1A1LMNA

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 CNR2 51/4885MMP3 292/4885MMP10 410/4885

“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.