SCHEMBL13131405

SCHEMBL13131405

CCc1ccc2ccn(CCCOC)c2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.52
REN P00797 1/20 0.47
MCL1 Q07820 12/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
GLO1 Q04760 1/20 0.41
BCL2 P10415 1/20 0.40
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL19526836 0.84 HTR7 (0.57) HTR7MCL1HTR2AHTR2CCDK4
SCHEMBL91358 0.82 HTR2A (0.51) HTR7RENMCL1HTR2AHTR2C
SCHEMBL13962823 0.81 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL13962828 0.81 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL8265371 0.81 MCL1 (0.46) RENMCL1HTR2AHTR2CGLO1
SCHEMBL1049671 0.81 HTR7 (0.51) HTR7MCL1HTR2AHTR2CGLO1
SCHEMBL14117445 0.79 GLO1 (0.46) HTR7HTR2AHTR2CGLO1CDK4
SCHEMBL78479 0.78 HTR7 (0.53) HTR7RENMCL1HTR2AHTR2C
SCHEMBL2808277 0.78 ALDH1A1 (0.59) RENMCL1BCL2MTNR1AMTNR1B
SCHEMBL27403010 0.78 HTR2C (0.43) HTR7RENMCL1HTR2AHTR2C

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 HTR7 570/4885REN 1/4885MCL1 4281/4885

“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.