SCHEMBL1661092

SCHEMBL1661092

NCC1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.44
NPC1 O15118 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
DPP4 P27487 2/20 0.42
POLB P06746 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
MGLL Q99685 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ACHE P22303 1/20 0.39
CXCR4 P61073 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL1660708 0.84 NPC1 (0.43) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL2152756 0.83 BPTF (0.61) BPTFNPC1MEN1KMT2ARAB9A
SCHEMBL22857686 0.83 CCR3 (0.49) MEN1KMT2A
SCHEMBL8299798 0.81 MMP3 (0.45) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL14525339 0.80 NPC1 (0.40) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL24986731 0.78 NPC1 (0.44) NPC1MEN1KMT2ARAB9APOLB
Trifluoroacetic Acid SCHEMBL7143007 0.78 DPP4 (0.41) BPTFDPP4CHRM3PIM1
SCHEMBL1660780 0.76 CTSG (0.42) NPC1MEN1KMT2ARAB9APOLB
SCHEMBL14525338 0.76 MTNR1A (0.57) NPC1POLBACHE
SCHEMBL8420328 0.74 SLC18A3 (0.44) NPC1POLBPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
EP-2490692-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
WO-2011049731-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 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 (1 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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 BPTF 2821/4885NPC1 1807/4885MEN1 2883/4885

“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.