SCHEMBL3525796

SCHEMBL3525796

Cc1ccccc1C1(CC=O)CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.44
P2RX7 Q99572 1/20 0.38
HDAC4 P56524 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
GRIN2B Q13224 1/20 0.35
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
CYP2D6 P10635 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL3528311 0.83 TACR1 (0.45) APPOPRD1OPRK1
SCHEMBL3527130 0.81 HSD11B1 (0.42) P2RX7OPRM1HSD11B1
SCHEMBL3530123 0.80 APP (0.43) APPP2RX7HDAC4OPRM1OPRD1
SCHEMBL1244472 0.80 APP (0.43) APPP2RX7HDAC4OPRM1OPRD1
SCHEMBL5373284 0.77 OPRM1 (0.60) APPHDAC4OPRM1OPRD1OPRK1
SCHEMBL3522805 0.71 ALDH1A1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL3523461 0.69 CCR5 (0.51) OPRD1OPRK1
SCHEMBL3531219 0.69 KMT2A (0.56) OPRD1OPRK1
SCHEMBL6247508 0.69 APP (0.60) APP
SCHEMBL5372905 0.69 OPRM1 (0.47) APPOPRM1OPRD1OPRK1OPRL1

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
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 APP 2907/4885P2RX7 601/4885HDAC4 3730/4885

“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.