SCHEMBL2805392

SCHEMBL2805392

COCCCn1cc(C)c2ccc(CO)cc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.43
SLC22A12 Q96S37 8/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE4A P27815 6/20 0.38
PDE4B Q07343 6/20 0.38
PDE4C Q08493 6/20 0.38
PDE4D Q08499 6/20 0.38

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
SCHEMBL13131404 0.88 REN (0.41) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL13132254 0.84 CNR1 (0.40) RENSLC22A12CNR1CNR2
SCHEMBL13131386 0.84 PDE4A (0.40) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL14144409 0.83 REN (0.42) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL4582670 0.83 REN (0.42) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL91360 0.83 REN (0.44) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL2809490 0.82 CNR2 (0.37) RENCNR1CNR2
SCHEMBL4602445 0.81 ICMT (0.44) RENCNR1CNR2PDE4APDE4B
SCHEMBL13962817 0.81 REN (0.42) RENSLC22A12CNR1CNR2PDE4A
SCHEMBL1050732 0.81 REN (0.42) RENCNR1CNR2PDE4APDE4B

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 4 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
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
EP-1921069-A1 Process for preparing 2-alkyl-3-heterocyclyl-prop-2-en-1-ols Speedel Experimenta AG (CH) 2008-05-14 EP 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 1/4885SLC22A12 2804/4885CNR1 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.