SCHEMBL9506852

SCHEMBL9506852

Cc1ccn(C(=O)N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.50
SCN4A P35499 1/20 0.47
PLAU P00749 2/20 0.45
ELANE P08246 2/20 0.45
F2 P00734 1/20 0.44
KLKB1 P03952 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 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
SCHEMBL3008191 0.77
SCHEMBL31708644 0.76 SCN4A (0.43) SCN4AALDH1A1KMT2ABCHEACHE
SCHEMBL11557198 0.75
SCHEMBL6685826 0.75
Hydrochloric Acid SCHEMBL11557202 0.75 NOS1 (0.53) NOS1PLAUELANEF2KLKB1
SCHEMBL31589216 0.74 SCN4A (0.46) SCN4AALDH1A1KMT2ABCHEACHE
SCHEMBL2181609 0.73 SCN4A (0.62) SCN4AL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL12128384 0.72 PLAU (0.51) NOS1PLAUELANEF2KLKB1
SCHEMBL9507822 0.72 NOS1 (0.50) NOS1SCN4APLAUELANEF2
SCHEMBL29296509 0.72 NOS1 (0.50) NOS1PLAUELANEF2KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653127-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2014-02-18 US disclosed
US-8211926-B2 Bicyclic pyrazolo-heterocycles CARA THERAPEUTICS, INC. (US) 2012-07-03 US disclosed
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-11-10 US disclosed
US-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-06-16 US disclosed
EP-0547055-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) 1993-06-23 EP disclosed
WO-1991018509-A1 AGENTS FOR INCREASING BIOMASS PRODUCTION STICKSTOFFWERKE AG WITTENBERG-PIESTERITZ (DE) 1991-12-12 WO 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-20110144121-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, TRPV1 NOS1 3258/4885SCN4A 1409/4885PLAU 3985/4885
US-20110275609-A1 BICYCLIC PYRAZOLO-HETEROCYCLES CNR1, CNR2, HRH4 NOS1 3757/4885SCN4A 2373/4885PLAU 4014/4885

“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.