SCHEMBL2633205

SCHEMBL2633205

CCOC1CC2CC[C@@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 6/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.34
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL13677258 1.00 GRM1 (0.39) GRM1ATMALDH1A1SMN1; SMN2EPHX2
SCHEMBL22507523 1.00 GRM1 (0.39) GRM1ATMALDH1A1SMN1; SMN2EPHX2
SCHEMBL76360 1.00 GRM1 (0.39) GRM1ATMALDH1A1SMN1; SMN2EPHX2
SCHEMBL2627957 0.88 ALDH1A1 (0.38) GRM1ALDH1A1SMN1; SMN2EPHX2
SCHEMBL2739891 0.84 GRM1 (0.38) GRM1ATMEPHX2CYP19A1MAPT
SCHEMBL14318437 0.83 GRM1 (0.38) GRM1ATMEPHX2CYP19A1MAPT
SCHEMBL19480323 0.80 GRM1 (0.33) GRM1
SCHEMBL14619689 0.79 PPP5C (0.36) GRM1ATMSMN1; SMN2CYP19A1MAPT
SCHEMBL2739878 0.78 ATM (0.36) GRM1ATMCYP19A1MAPTPDGFRB
SCHEMBL5164652 0.78 GBA1 (0.39) GRM1ATMALDH1A1EPHX2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors UNIVERSITY OF CONNECTICUT (US) 2012-04-19 US disclosed
US-8084451-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2011-12-27 US disclosed
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-11 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 (2 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-20120095047-A1 Novel Heteropyrrole Analogs Acting on Cannabinoid Receptors CNR2, CNR1, GPR18 GRM1 177/4885ATM 3430/4885ALDH1A1 3880/4885
US-20100063050-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS CNR2, CNR1, GPR18 GRM1 177/4885ATM 3430/4885ALDH1A1 3880/4885

“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.