SCHEMBL2805245

SCHEMBL2805245

Fc1ccc2[nH]cc(CNC3CC3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.59
SLC6A4 P31645 3/20 0.58
MAPK1 P28482 1/20 0.57
MPO P05164 7/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR2A P28223 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
HTR1A P08908 1/20 0.52
OPRM1 P35372 2/20 0.52
OPRL1 P41146 2/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL30877828 0.86 OPRM1 (0.67) GPR84SLC6A4MPOKMT2AHTR2A
SCHEMBL29206498 0.86 OPRM1 (0.67) GPR84SLC6A4MPOKMT2AHTR2A
SCHEMBL24694004 0.81 OPRM1 (0.65) GPR84SLC6A4MAPK1MPOKMT2A
SCHEMBL26996488 0.78 SLC6A4 (0.83) GPR84SLC6A4MAPK1MPOKMT2A
SCHEMBL14036644 0.78 MPO (0.72) GPR84SLC6A4MPOKMT2AHTR2A
SCHEMBL8266302 0.78 HTT (0.85) GPR84SLC6A4MAPK1LMNAHTT
SCHEMBL10119871 0.76 SLC6A4 (0.72) GPR84SLC6A4MAPK1MPOHTR2A
SCHEMBL7479891 0.76 SLC6A4 (0.62) SLC6A4HTR2AHTR1AOPRM1OPRL1
SCHEMBL13973054 0.76 MPO (0.74) GPR84SLC6A4MPOHTR2ATRPM8
SCHEMBL18383118 0.76 GPR84 (1.00) GPR84SLC6A4MPOKMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2282/4885SLC6A4 1492/4885MAPK1 785/4885

“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.