SCHEMBL2870660

SCHEMBL2870660

O=C(NC(Cc1ccccc1)C1CCCCC1)c1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
CNR1 P21554 4/20 0.47
ACKR3 P25106 1/20 0.47
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
CAPN1 P07384 4/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
CTSS P25774 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2861620 0.78 CTRB1 (0.51) ALDH1A1RAB9ACTSS
SCHEMBL7239347 0.77 ROCK2 (0.55) ITGB2ICAM1ITGALPOLBSMN1; SMN2
SCHEMBL2856055 0.77 PTGES (0.45) GAA
SCHEMBL2856032 0.77 HPGD (0.51) ACKR3ALDH1A1
SCHEMBL2858587 0.77 PSMB5 (0.51) ACKR3ITGB2ICAM1ITGALPOLB
SCHEMBL5470915 0.76 DHODH (0.44) CNR2CNR1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5462314 0.75 NPC1 (0.56) ACKR3RAB9AKDM4ECTSS
SCHEMBL2857888 0.74 PSMB5 (0.52) ACKR3ALDH1A1MAPTRAB9A
SCHEMBL3165964 0.74 ALDH1A1 (0.68) CNR2CNR1ACKR3ALDH1A1RAB9A
SCHEMBL2877086 0.73 EPHX2 (0.61) CNR2ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 CNR2 1504/4885CNR1 830/4885ACKR3 1451/4885

“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.