SCHEMBL300331

SCHEMBL300331

O=C(NCC1(c2ccccc2)CCCC1)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.72
LMNA P02545 6/20 0.66
L3MBTL1 Q9Y468 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL9818668 0.98 CNR1 (0.70) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818691 0.89 CNR1 (0.66) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818621 0.89 CNR1 (0.66) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818669 0.89 CNR1 (0.87) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818576 0.89 LMNA (0.68) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818724 0.87 CNR1 (0.63) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818592 0.87 CNR1 (0.63) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818721 0.87 CNR1 (0.63) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818643 0.86 MAPT (0.56) CNR1LMNAL3MBTL1SMN1; SMN2NPSR1
SCHEMBL9818694 0.86 CNR1 (0.62) CNR1L3MBTL1MEN1KMT2AALDH1A1

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 705 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517900-B2 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US claimed
EP-1670460-A4 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
EP-1653962-A4 PYRAZINE MODULATORS OF CANNABINOID RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2008-06-11 EP claimed
EP-1644335-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP claimed
EP-1644370-A4 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-06-04 EP claimed
JP-2007514770-A 2007-06-07 JP claimed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP claimed
EP-1697370-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP claimed
EP-1697370-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP claimed
EP-1697371-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-09-06 EP claimed
WO-2005063762-A1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-14 WO claimed
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators BROSTOL-MYERS SQUIBB COMPANY 2005-06-30 US claimed
WO-2005037199-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-28 WO claimed
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US claimed
US-20050054659-A1 Pyrazine modulators of cannabinoid receptors BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US claimed
WO-2005016286-A2 PYRAZINE MODULATORS OF CANNABINOID RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-24 WO claimed
WO-2005007111-A2 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO claimed
WO-2005007628-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-27 WO claimed
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-20 US claimed
US-20050009870-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US 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 (5 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-20050009870-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 CNR1 2/4885LMNA 4479/4885L3MBTL1 4811/4885
US-20050080087-A1 Pyrazole derivatives as cannabinoid receptor modulators CNR1, CNR2, NPY1R CNR1 1/4885LMNA 4126/4885L3MBTL1 4614/4885
US-20050014786-A1 Tetrahydroquinoline derivatives as cannabinoid receptor modulators CNR2, CNR1, OPRL1 CNR1 2/4885LMNA 4479/4885L3MBTL1 4811/4885
US-20050143381-A1 Azabicyclic heterocycles as cannabinoid receptor modulators CNR1, CNR2, CCKBR CNR1 1/4885LMNA 3559/4885L3MBTL1 4650/4885
US-20050054659-A1 Pyrazine modulators of cannabinoid receptors CNR1, CNR2, GPR18 CNR1 1/4885LMNA 3907/4885L3MBTL1 4822/4885

“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.