SCHEMBL3770029

SCHEMBL3770029

CN1CC2C(CNC(=O)c3cccc(C(C(F)(F)F)C(F)(F)F)c3)C2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.43
ROCK2 O75116 4/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRMT5 O14744 1/20 0.39
TP53BP1 Q12888 1/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1I Q9P0X4 1/20 0.38
HTR2A P28223 1/20 0.38
ABAT P80404 1/20 0.38
ENPP2 Q13822 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR4 Q13639 2/20 0.38
GPR139 Q6DWJ6 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3765706 0.85 HDAC6 (0.43) ROCK2HDAC6PRMT5TP53BP1HTR2A
SCHEMBL3777123 0.83 POLB (0.56) TP53BP1ALDH1A1POLBKMT2AMEN1
SCHEMBL3778064 0.81 CACNA1H (0.43) CACNA1HHDAC6KCNH2CACNA1IHTR2A
SCHEMBL3775181 0.80 NAMPT (0.51) CACNA1HROCK2KCNH2GPR139
SCHEMBL3772616 0.77 ALDH1A1 (0.52) TP53BP1KCNH2ALDH1A1POLBKMT2A
SCHEMBL3770032 0.76 CARM1 (0.34) HDAC6KCNH2
SCHEMBL15966984 0.74 NAMPT (0.47) ROCK2KCNH2GPR139
SCHEMBL3770723 0.72 POLB (0.57) TP53BP1ALDH1A1POLBKMT2AMEN1
SCHEMBL15967183 0.72 GPR139 (0.55) CACNA1HKCNH2HTR4GPR139
SCHEMBL5509528 0.71 GPR139 (0.52) HTR4GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 CACNA1H 797/4885ROCK2 3564/4885HDAC6 2873/4885

“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.