SCHEMBL3223360

SCHEMBL3223360

COc1cc(N2CCC(=O)CC2)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
CCR6 P51684 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PPOX P50336 2/20 0.42
CCR1 P32246 1/20 0.41
NPC1 O15118 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
SCHEMBL17543889 0.86 PPOX (0.54) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL17543213 0.80 FFAR4 (0.36) ALDH1A1CCR1KMT2A
SCHEMBL7957349 0.80 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1NPSR1HSP90AA1
SCHEMBL2874775 0.79 HTR3A (0.60) MAPTLMNACYP2C19HTR6HTR2A
Hydrochloric Acid SCHEMBL2870719 0.77 HTR3A (0.59) MAPTLMNACYP2C19HTR6HTR2A
SCHEMBL7947767 0.77 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL3228974 0.76 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2TSHR
SCHEMBL17544147 0.75 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL16440154 0.74 ALDH1A1 (0.48) ALDH1A1MAPTRAB9ALMNASMN1; SMN2
SCHEMBL17542771 0.74 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084146-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-21 EP disclosed
US-8354432-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
EP-2084146-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
WO-2008042925-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 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-20100063067-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CXCR1, CCR1, ACKR3 ALDH1A1 740/4885MAPT 4853/4885MAPK1 593/4885

“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.