SCHEMBL13169010

SCHEMBL13169010

CCc1cc(COCCCO)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
TACR1 P25103 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GBA2 Q9HCG7 4/20 0.35
GBA1 P04062 3/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
SLC5A2 P31639 1/20 0.34
UGCG Q16739 2/20 0.34
PARP1 P09874 1/20 0.34
AKR1B1 P15121 1/20 0.33
S1PR3 Q99500 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 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
SCHEMBL13169017 0.89 F2 (0.40) F2CNR1CNR2GBA2GBA1
SCHEMBL29706450 0.75 CYP1A2 (0.52) F2AKR1B1CYP1A2CYP2A6
SCHEMBL5682912 0.75 CYP1A2 (0.52) F2AKR1B1CYP1A2CYP2A6
SCHEMBL13169570 0.73 GBA2 (0.35) CNR1CNR2GBA2GBA1ADRB2
SCHEMBL13169565 0.72 GBA2 (0.35) CNR1CNR2GBA2GBA1ADRB2
SCHEMBL13169566 0.72 SLC5A2 (0.39) CNR1CNR2GBA2GBA1ADRB2
SCHEMBL17919574 0.72 CYP1A2 (0.48) F2CYP1A2CYP2A6
SCHEMBL13168773 0.71 PDE4A (0.42) PARP1
SCHEMBL14949293 0.71 F2 (0.46) F2TACR1AKR1B1
SCHEMBL13169569 0.71 SLC5A2 (0.36) SLC5A2S1PR3CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F2 1475/4885TACR1 75/4885CNR1 520/4885

“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.