SCHEMBL4469442

SCHEMBL4469442

[CH2]CN1CC=C(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
LMNA P02545 3/20 0.76
ALOX15 P16050 3/20 0.76
HTR1A P08908 11/20 0.73
DRD2 P14416 7/20 0.73
HTR2A P28223 4/20 0.73
HTT P42858 2/20 0.73
SLC6A4 P31645 4/20 0.65
POLB P06746 1/20 0.65
HTR6 P50406 1/20 0.65
HSD17B10 Q99714 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
SIGMAR1 Q99720 1/20 0.60
TDO2 P48775 1/20 0.58
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56

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
SCHEMBL4482017 0.90 KDM4E (0.73) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL4491839 0.87 KDM4E (0.70) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL11321052 0.86 KDM4E (1.00) KDM4ELMNAALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL11325899 0.86 KDM4E (1.00) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL11314586 0.86 KDM4E (0.71) KDM4ELMNAALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL11327351 0.86 KDM4E (0.71) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL11315106 0.84 KDM4E (0.81) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL11223590 0.84 KDM4E (0.73) KDM4ELMNAALOX15HTR1ADRD2
Hydrochloric Acid SCHEMBL11313113 0.84 KDM4E (0.81) KDM4ELMNAALOX15HTR1ADRD2
SCHEMBL7543848 0.84 HTR1A (1.00) KDM4ELMNAALOX15HTR1ADRD2

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-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US claimed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP claimed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US claimed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO claimed

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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 KDM4E 3120/4885LMNA 4035/4885ALOX15 3290/4885

“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.