SCHEMBL712406

SCHEMBL712406

CCCCNCC1C2CN(Cc3ccc(Cl)cc3)CC12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CXCR4 P61073 1/20 0.39
S1PR5 Q9H228 4/20 0.39
S1PR1 P21453 3/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR4 O95977 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3774934 0.96 SMN1; SMN2 (0.52) SMN1; SMN2CXCR4S1PR5S1PR1S1PR3
SCHEMBL5514691 0.80 HRH3 (0.37) POLBCXCR4S1PR5KDM4EALDH1A1
SCHEMBL5509521 0.79 KDM4E (0.36) POLBCXCR4S1PR5S1PR1KDM4E
SCHEMBL15967325 0.79 CXCR4 (0.46) L3MBTL1CXCR4S1PR5KDM4EALDH1A1
SCHEMBL3774929 0.79 HPGD (0.56) POLBS1PR5S1PR1S1PR3S1PR4
SCHEMBL5507916 0.76 CXCR4 (0.46) SMN1; SMN2POLBL3MBTL1CXCR4KDM4E
SCHEMBL712405 0.75 MAPK1 (0.46) SMN1; SMN2L3MBTL1S1PR5S1PR1S1PR3
SCHEMBL4903573 0.75 CXCR4 (0.60) SMN1; SMN2L3MBTL1CXCR4ALDH1A1
SCHEMBL5105700 0.73 NPY5R (0.46) CXCR4S1PR5S1PR1SIGMAR1
SCHEMBL5514688 0.72 CACNA1H (0.43) SMN1; SMN2POLBS1PR5TP53

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 4 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
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 SMN1; SMN2 3737/4885POLB 3782/4885L3MBTL1 1700/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 SMN1; SMN2 3500/4885POLB 3793/4885L3MBTL1 1689/4885

“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.