SCHEMBL710113

SCHEMBL710113

O=C(NCC1C2CNCC21)c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
CACNA1I Q9P0X4 1/20 0.46
DDR1 Q08345 1/20 0.43
HTR2A P28223 1/20 0.41
ABAT P80404 1/20 0.41
ENPP2 Q13822 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PIK3CA P42336 1/20 0.41
TACR1 P25103 1/20 0.40
CACNA1H O95180 1/20 0.40
SCN9A Q15858 1/20 0.38
MLYCD O95822 1/20 0.38
RHOC P08134 2/20 0.38
RHOA P61586 2/20 0.38
MCHR1 Q99705 2/20 0.37
VNN1 O95497 2/20 0.37

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
SCHEMBL5513102 0.82 POLB (0.56)
SCHEMBL19112901 0.81 KCNH2 (0.56) KCNH2CACNA1IPIK3CACACNA1HMLYCD
Hydrochloric Acid SCHEMBL709535 0.81 POLB (0.55)
SCHEMBL613983 0.78 CCR2 (0.52) KCNH2RHOCRHOA
SCHEMBL710104 0.76 DDR1 (0.45) DDR1
SCHEMBL708326 0.76 TAS1R3 (0.50) KCNH2HTR2AABATENPP2SIGMAR1
Hydrochloric Acid SCHEMBL711109 0.75 TAS1R3 (0.49) KCNH2HTR2AABATENPP2SIGMAR1
SCHEMBL13753001 0.75 DDR1 (0.55) DDR1TACR1MLYCDRHOCRHOA
SCHEMBL20056167 0.74 KCNH2 (0.65) KCNH2CACNA1IPIK3CACACNA1HMCHR1
SCHEMBL25111776 0.74 KCNH2 (0.38) KCNH2CACNA1IDDR1PIK3CATACR1

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 7 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-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 US disclosed
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. 2006-10-12 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 KCNH2 694/4885CACNA1I 432/4885DDR1 4706/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 KCNH2 733/4885CACNA1I 394/4885DDR1 4642/4885

“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.