SCHEMBL3770903

SCHEMBL3770903

O=C(NCC1C2CN(C3CNC3)CC12)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.48
NAMPT P43490 2/20 0.48
CCR2 P41597 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GPR139 Q6DWJ6 1/20 0.44
KAT6A Q92794 3/20 0.43
DDR1 Q08345 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK14 Q16539 1/20 0.41
SLC6A9 P48067 2/20 0.40
MGLL Q99685 1/20 0.40
MCHR1 Q99705 2/20 0.40

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
SCHEMBL5506742 0.90 TAS1R3 (0.49) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5507358 0.90 TAS1R3 (0.52) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL15966984 0.89 NAMPT (0.47) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5506383 0.88 NAMPT (0.51) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5510188 0.87 HTR4 (0.47) CHRM3NAMPTCCR2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL709982 0.87 NAMPT (0.50) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL3773948 0.85 SLC6A9 (0.45) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL5506744 0.85 NAMPT (0.49) CHRM3NAMPTCCR2TAS1R3TAS1R1
SCHEMBL3775181 0.85 NAMPT (0.51) CHRM3NAMPTCCR2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL710199 0.84 NAMPT (0.48) CHRM3NAMPTCCR2TAS1R3TAS1R1

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 CHRM3 1221/4885NAMPT 3601/4885CCR2 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.