SCHEMBL4539709

SCHEMBL4539709

COc1ccc2c(c1)cc(C(=O)O)n2CCN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CCR2 P41597 3/20 0.56
MAPT P10636 1/20 0.49
CNR2 P34972 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CNR1 P21554 2/20 0.48
CYP1A2 P05177 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7217397 0.91 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4566535 0.82 CCR2 (0.57) ALDH1A1CCR2MAPTCNR2MAPK1
SCHEMBL669395 0.82 CREBBP (0.53) ALDH1A1SMN1; SMN2CNR2CNR1CYP1A2
SCHEMBL3953149 0.81 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30121932 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CCR2MAPTCNR2
SCHEMBL6753297 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CCR2MAPTCNR2
SCHEMBL7216990 0.79 CNR2 (0.61) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL4365830 0.79 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL700814 0.79 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL28044292 0.79 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO claimed
WO-2009063495-A2 SUBSTITUTED INDOLE AND ITS DERIVATIVES AS CANNABINOID MODULATORS CADILA HEALTHCARE LIMITED (IN) 2009-05-22 WO disclosed
US-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 ALDH1A1 3321/4885KDM4E 1495/4885HPGD 889/4885

“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.