SCHEMBL1815449

SCHEMBL1815449

[c]1ccc(C2=CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
HTR2C P28335 10/20 0.62
QDPR P09417 3/20 0.60
HRH3 Q9Y5N1 1/20 0.42
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2186127 0.80 SIGMAR1 (0.65) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL415545 0.78 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR2AHTR6
Bromide SCHEMBL11385943 0.77 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR2AHTR6
Hydrochloric Acid SCHEMBL446973 0.77 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL2356913 0.76 HTR2C (0.61) SIGMAR1HTR2CQDPRHTR6DRD2
SCHEMBL19998281 0.75 HTR2C (0.66) SIGMAR1HTR2CQDPRHRH3HTR2A
SCHEMBL1199051 0.75 HTR2C (1.00) SIGMAR1HTR2CQDPRHRH3HTR2A
SCHEMBL8380936 0.75 QDPR (1.00) SIGMAR1HTR2CQDPR
SCHEMBL532892 0.75 HTR2C (0.66) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL3899585 0.75 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US disclosed
CN-101001842-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-07-18 CN 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 (5 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SIGMAR1 724/4885HTR2C 2144/4885QDPR 2321/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SIGMAR1 724/4885HTR2C 2144/4885QDPR 2321/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SIGMAR1 724/4885HTR2C 2144/4885QDPR 2321/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 SIGMAR1 1974/4885HTR2C 2354/4885QDPR 3062/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SIGMAR1 724/4885HTR2C 2144/4885QDPR 2321/4885

“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.