SCHEMBL2809449

SCHEMBL2809449

COCCCn1cc(C)c2ccc(CNC3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.43
ITK Q08881 2/20 0.40
HRH3 Q9Y5N1 1/20 0.37
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAOB P27338 1/20 0.35
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL13132361 0.97 REN (0.40) RENITKHRH3PDE4APDE4B
SCHEMBL13132351 0.88 REN (0.43) RENITKHRH3ALDH1A1CNR1
SCHEMBL13132253 0.87 REN (0.40) RENITKHRH3ALDH1A1PARP1
SCHEMBL13132278 0.84 SMN1; SMN2 (0.45) RENITKALDH1A1CNR1CNR2
SCHEMBL13132362 0.83 HTR6 (0.40) RENITKHRH3ALDH1A1CNR1
SCHEMBL13132363 0.81 CNR1 (0.49) ITKALDH1A1CNR1CNR2
SCHEMBL13131404 0.80 REN (0.41) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL13132335 0.80 REN (0.49) RENCNR1CNR2
SCHEMBL13132360 0.80 ITK (0.43) ITKHRH3ALDH1A1PARP1MAOB
SCHEMBL2805392 0.79 REN (0.43) RENPDE4APDE4BPDE4CPDE4D

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 6 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-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 REN 1/4885ITK 2985/4885HRH3 379/4885

“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.