SCHEMBL3224186

SCHEMBL3224186

COc1cc(N2CCC3(CC2)OCCO3)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 3/20 0.39
LGMN Q99538 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL17543634 0.82 FFAR4 (0.40) ALDH1A1MAPTRAB9AHSP90AA1KDM4E
SCHEMBL25515887 0.79 HTR3E (0.46) ALDH1A1MAPTMAPK1RAB9ANPSR1
SCHEMBL3218764 0.79 LGMN (0.47) ALDH1A1MAPTRAB9AKDM4EPOLB
SCHEMBL17543397 0.78 NPC1 (0.43) ALDH1A1MAPTMAPK1RAB9AKDM4E
SCHEMBL16440144 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1KDM4EPOLB
SCHEMBL13416765 0.77 POLB (0.45) ALDH1A1MAPTNPSR1KDM4EPOLB
SCHEMBL19708743 0.77 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1KDM4EPOLB
SCHEMBL17893742 0.75 FFAR4 (0.41) ALDH1A1MAPTRAB9AKDM4EPOLB
SCHEMBL22821784 0.75 LGMN (0.46) ALDH1A1MAPTKDM4EPOLBLGMN
SCHEMBL3215847 0.75 CCR1 (0.39) ALDH1A1MAPTMAPK1RAB9AHSP90AA1

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.