SCHEMBL17628349

SCHEMBL17628349

CN(C(=O)O)C1CCN(c2nc(Cl)nc3c2CCC3)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NR4A1 P22736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK1 P23458 4/20 0.35
PRKDC P78527 2/20 0.34
JAK3 P52333 2/20 0.33
JAK2 O60674 2/20 0.33
CFTR P13569 1/20 0.33
CTSS P25774 1/20 0.33
SPR P35270 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 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
SCHEMBL17628075 0.94 PRKDC (0.39) HRH4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL17627935 0.92 PRKDC (0.39) HRH4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL17628307 0.84 HRH4 (0.38) HRH4MEN1KMT2ALMNATSHR
SCHEMBL17628270 0.83 SPR (0.46) HRH4LMNATSHRNR4A1SMN1; SMN2
SCHEMBL17628272 0.83 SPR (0.46) HRH4LMNATSHRNR4A1SMN1; SMN2
SCHEMBL17667367 0.81 HRH4 (0.36) HRH4MEN1KMT2ALMNATSHR
SCHEMBL17667365 0.81 HRH4 (0.36) HRH4MEN1KMT2ALMNATSHR
SCHEMBL17667288 0.80 SPR (0.45) HRH4LMNATSHRNR4A1SMN1; SMN2
SCHEMBL17667289 0.79 HRH4 (0.35) HRH4MEN1KMT2ALMNATSHR
SCHEMBL17667301 0.78 HRH4 (0.36) HRH4MEN1KMT2ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORPORATION (KR) 2017-06-01 US disclosed
EP-3006439-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR Yuhan Corporation (KR) 2016-04-13 EP disclosed
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR YUHAN CORP (KR) 2016-03-31 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-20170152241-A9 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885OPRM1 769/4885OPRD1 623/4885
US-20160090374-A1 BICYCLIC DERIVATIVE CONTAINING PYRIMIDINE RING, AND PREPARATION METHOD THEREFOR GPR119, GIPR, P2RY4 HRH4 4/4885OPRM1 769/4885OPRD1 623/4885

“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.