SCHEMBL3456447

SCHEMBL3456447

CCOC(=O)c1cnc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
GABRP O00591 5/20 0.43
GABRD O14764 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB1 P18505 5/20 0.43
GABRG2 P18507 5/20 0.43
GABRB3 P28472 5/20 0.43
GABRA5 P31644 5/20 0.43
GABRA3 P34903 5/20 0.43
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
GABRA4 P48169 5/20 0.43
GABRE P78334 5/20 0.43
GABRA6 Q16445 5/20 0.43
GABRG1 Q8N1C3 5/20 0.43
GABRG3 Q99928 5/20 0.43
GABRQ Q9UN88 5/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 6/20 0.42

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
SCHEMBL1019601 0.84 CYP1A2 (0.59) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL30986210 0.78 SIRT6 (0.52) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL7999648 0.78 SIRT6 (0.52) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL1644521 0.78 POLB (0.70) POLBCYP1A2LMNAALDH1A1L3MBTL1
SCHEMBL1644378 0.78 CYP1A2 (0.52) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL1020342 0.77 KDM4E (0.50) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL2333525 0.76 KDM4E (0.49) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL3376117 0.76 CA12 (0.49) CYP1A2LMNAKDM4EALDH1A1HSD17B10
SCHEMBL197360 0.76 CYP1A2 (0.50) POLBCYP1A2GABRPGABRDGABRA1
SCHEMBL24724182 0.75 KCNJ1 (0.40) ALDH1A1MAPTCHEK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP disclosed
EP-2258700-A1 Cycloalkylamino acid derivatives and pharmaceutical compositions thereof Pfizer Products Inc. (US) 2010-12-08 EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
EP-2021338-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Products Inc. (US) 2009-02-11 EP disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 US disclosed
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES PFIZER INC 2007-11-22 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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 POLB 373/4885CYP1A2 2263/4885GABRP 2188/4885
US-20070270438-A1 CYCLOALKYLAMINO ACID DERIVATIVES CCND1, CCND2, CCND3 POLB 373/4885CYP1A2 2263/4885GABRP 2188/4885

“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.