SCHEMBL708595

SCHEMBL708595

O=C(NCC1C2CNCC21)c1cccc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
EPHX2 P34913 1/20 0.51
PRMT5 O14744 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CFD P00746 1/20 0.47
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PREP P48147 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KMO O15229 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL710106 0.87 HDAC3 (0.53) MEN1KMT2AHDAC8NR1H4EPHX2
SCHEMBL15967359 0.82 OPRM1 (0.54)
Hydrochloric Acid SCHEMBL708457 0.81 OPRM1 (0.53)
SCHEMBL31331640 0.80 MEN1 (0.71) MEN1KMT2AHDAC8NR1H4EPHX2
SCHEMBL5513102 0.79 POLB (0.56) ALDH1A1
Hydrochloric Acid SCHEMBL709535 0.78 POLB (0.55) ALDH1A1
SCHEMBL3783233 0.77 HDAC6 (0.44) MEN1KMT2AHDAC8HPGDALDH1A1
SCHEMBL1927570 0.77 MEN1 (0.83) MEN1KMT2AHDAC8NR1H4EPHX2
SCHEMBL3765706 0.76 HDAC6 (0.43) MEN1KMT2APRMT5HPGDALDH1A1
SCHEMBL5506383 0.76 NAMPT (0.51) HPGDHDAC1

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 MEN1 3132/4885KMT2A 1400/4885HDAC8 4167/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 MEN1 3305/4885KMT2A 1421/4885HDAC8 4043/4885

“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.