SCHEMBL2806207

SCHEMBL2806207

c1cnc2[nH]cc(CNC3CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.61
MET P08581 1/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 2/20 0.54
DRD4 P21917 7/20 0.49
DRD2 P14416 5/20 0.49
DRD3 P35462 5/20 0.49
MTNR1A P48039 1/20 0.47
AXL P30530 1/20 0.46
BCHE P06276 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
HIF1A Q16665 2/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44

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
SCHEMBL878847 0.79 BCHE (0.59) METDRD4DRD2DRD3BCHE
SCHEMBL25003438 0.77 HTT (0.58) LMNAHTTKMT2AMAPK1ALOX15
SCHEMBL858092 0.77 GPR84 (0.63) GPR84METDRD4DRD2DRD3
SCHEMBL27911675 0.77 GPR84 (1.00) GPR84METKMT2ADRD4DRD2
SCHEMBL8266302 0.76 HTT (0.85) GPR84LMNAHTTKMT2ACYP3A4
SCHEMBL857540 0.76 MTNR1A (0.54) GPR84METDRD4DRD2DRD3
SCHEMBL858607 0.76 CDC7 (0.54) GPR84METDRD4DRD2DRD3
Bromide SCHEMBL22093734 0.76 HTT (0.57) LMNAHTTKMT2AMAPK1ALOX15
Bromide SCHEMBL31308850 0.76 HTT (0.57) LMNAHTTKMT2AMAPK1ALOX15
SCHEMBL2217980 0.75 GPR84 (0.76) GPR84METKMT2ADRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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 (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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 GPR84 2282/4885MET 173/4885LMNA 1966/4885

“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.