SCHEMBL708596

SCHEMBL708596

c1ccc(-c2cccc(CNCC3C4CNCC34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
AOC3 Q16853 2/20 0.43
MC4R P32245 2/20 0.43
PRMT6 Q96LA8 3/20 0.40
CARM1 Q86X55 2/20 0.40
MAN1B1 Q9UKM7 1/20 0.40
HTR5A P47898 1/20 0.39
HTR1A P08908 1/20 0.39
VSIR Q9H7M9 3/20 0.39
AGXT P21549 1/20 0.37
HTR2C P28335 1/20 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
SCHEMBL710107 0.87 MEN1 (0.45) KDM1AMC4RMAN1B1HTR2C
SCHEMBL15967360 0.81 CHRM2 (0.50) CXCR4HTR2C
Hydrochloric Acid SCHEMBL708458 0.80 CHRM2 (0.49) CXCR4
SCHEMBL5513104 0.78 DPP7 (0.47) PRMT6CARM1HTR2C
SCHEMBL3783236 0.78 ATM (0.37) CXCR4MC4RMAN1B1HTR2C
Hydrochloric Acid SCHEMBL709536 0.77 DPP7 (0.46) PRMT6CARM1HTR2C
SCHEMBL3765708 0.75 BCHE (0.33) MAN1B1
SCHEMBL5506384 0.75 SLC6A9 (0.46) PRMT6CARM1HTR2C
SCHEMBL20314123 0.75 BCHE (0.54) CXCR4KDM1A
SCHEMBL5513134 0.75 SIGMAR1 (0.55)

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 CXCR4 815/4885KDM1A 2188/4885MAOA 1386/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 CXCR4 890/4885KDM1A 2231/4885MAOA 1316/4885

“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.