SCHEMBL4021756

SCHEMBL4021756

Nc1ccc(OC2CCCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
BTK Q06187 1/20 0.42
PARP10 Q53GL7 1/20 0.41
ABL1 P00519 1/20 0.41
NFE2L2 Q16236 1/20 0.40
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MPO P05164 1/20 0.39
TPO P07202 1/20 0.39
EPX P11678 1/20 0.39
LPO P22079 1/20 0.39
TNK2 Q07912 2/20 0.39
JAK3 P52333 2/20 0.39
ACACB O00763 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
HPGD P15428 1/20 0.37
ACACA Q13085 1/20 0.37

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
SCHEMBL4018813 0.98 MCHR1 (0.43) MCHR1PDGFRBPDGFRABTKPARP10
SCHEMBL31508102 0.95 PARP10 (0.46) MCHR1PDGFRBPDGFRABTKPARP10
SCHEMBL10255943 0.95 PARP10 (0.46) MCHR1PDGFRBPDGFRABTKPARP10
SCHEMBL22663476 0.91 MPO (0.42) MCHR1BTKPARP10MPOTPO
SCHEMBL19041965 0.83 ROCK1 (0.52) ALOX5APFEN1
SCHEMBL22583428 0.83 DHFR (0.41) MPOTPOEPXLPOALOX5AP
SCHEMBL20037640 0.81 CHRNB2 (0.59) ALOX5APFEN1
SCHEMBL18937320 0.80 HRH3 (0.51)
SCHEMBL2589101 0.80 SLC6A2 (0.47) MPOTPOEPXLPO
SCHEMBL18291349 0.79 CYP4F2 (0.43) MCHR1MPOTPOEPXLPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112679487-A 4- (5- (cyclohexyloxy) pyridine-2-yl) morpholine-2, 6-dione and preparation method and application thereof 张淑华 2021-04-20 CN claimed
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
CN-112679487-A 4- (5- (cyclohexyloxy) pyridine-2-yl) morpholine-2, 6-dione and preparation method and application thereof 张淑华 2021-04-20 CN disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MCHR1 51/4885PDGFRB 740/4885PDGFRA 792/4885

“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.