SCHEMBL712110

SCHEMBL712110

Fc1ccc(CNCC2C3CN(Cc4ccc(OC(F)(F)F)cc4)CC23)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.46
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
DRD4 P21917 4/20 0.40
P2RX7 Q99572 3/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
LIPE Q05469 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
PTPN7 P35236 2/20 0.36
DUSP3 P51452 2/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
MCHR1 Q99705 1/20 0.35

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
SCHEMBL711633 0.88 DRD4 (0.47) BCHEACHEBACE1ALDH1A1DRD4
SCHEMBL3777506 0.84 BCHE (0.47) TEAD1BCHEACHEBACE1ALDH1A1
SCHEMBL712568 0.84 BACE1 (0.48) TEAD1BCHEACHEBACE1ALDH1A1
SCHEMBL3773846 0.82 P2RX7 (0.47) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL712109 0.81 MCHR1 (0.57) TEAD1P2RX7PTPN7DUSP3MCHR1
SCHEMBL5510930 0.80 CARM1 (0.46) TEAD1BCHEACHEBACE1DRD4
SCHEMBL5514659 0.80 CARM1 (0.46) TEAD1BCHEACHEBACE1DRD4
SCHEMBL712501 0.80 P2RX7 (0.43) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL5510202 0.80 JAK2 (0.46) DRD4P2RX7JAK2JAK1TYK2
SCHEMBL708602 0.80 CARM1 (0.45) TEAD1BCHEACHEBACE1DRD4

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-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 TEAD1 2150/4885BCHE 677/4885ACHE 1960/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 TEAD1 1942/4885BCHE 751/4885ACHE 1972/4885

“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.