SCHEMBL3765783

SCHEMBL3765783

O=C(NCC1C2CN(CC3CC3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.49
KCNH2 Q12809 2/20 0.49
CCR2 P41597 2/20 0.49
NAMPT P43490 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
CHRM3 P20309 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
GPR139 Q6DWJ6 1/20 0.44
HTR4 Q13639 2/20 0.44
MCHR1 Q99705 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM2B Q8NHM5 2/20 0.41
DDR1 Q08345 2/20 0.41
KAT6A Q92794 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL3763868 0.96 SLC6A9 (0.51) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5511226 0.95 SLC6A9 (0.50) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5506744 0.88 NAMPT (0.49) SLC6A9KCNH2CCR2NAMPTTAS1R3
Hydrochloric Acid SCHEMBL710199 0.87 NAMPT (0.48) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5505965 0.86 HPGD (0.56) CCR2TAS1R3TAS1R1TAS1R2
SCHEMBL5512495 0.86 POLB (0.48) SLC6A9CCR2NAMPTTAS1R3TAS1R1
SCHEMBL3775181 0.85 NAMPT (0.51) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5509495 0.85 CCR2 (0.44) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5512693 0.85 GPR139 (0.50) SLC6A9KCNH2CCR2NAMPTTAS1R3
SCHEMBL5510629 0.85 NAMPT (0.47) SLC6A9KCNH2CCR2NAMPTTAS1R3

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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 US disclosed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP disclosed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 SLC6A9 9/4885KCNH2 694/4885CCR2 1273/4885

“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.