SCHEMBL2597202

SCHEMBL2597202

CCc1cnc(Cl)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1912419 0.83 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL335739 0.81 RECQL (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1912301 0.81 LOX (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8272903 0.80 ALDH1A1 (0.44) NOS3NOS1NOS2PARP1ALDH1A1
Hydrochloric Acid SCHEMBL14801170 0.79 LOX (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9782529 0.79 CCR5 (0.35) ALDH1A1
SCHEMBL13859197 0.78 KDM4E (0.35) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL13859499 0.78 CYP1A2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL17229261 0.78 ALDH1A1 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL10310085 0.77 NOS3 (0.38) NOS3NOS1NOS2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319943-B1 NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-06-26 EP disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
EP-2626354-A1 Viral polymerase inhibitors Boehringer Ingelheim International GmbH (DE) 2013-08-14 EP disclosed
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
CN-103080101-A Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC 2013-05-01 CN disclosed
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 NOS3 1860/4885NOS1 1464/4885NOS2 1229/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH NOS3 3599/4885NOS1 4104/4885NOS2 4129/4885

“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.