SCHEMBL13132011

SCHEMBL13132011

COCCCOc1cc(CBr)cc2c1CCO2

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.41
HTR2C P28335 7/20 0.37
HTR2A P28223 6/20 0.37
HTR2B P41595 3/20 0.36
CXCR3 P49682 4/20 0.35
HTR1A P08908 4/20 0.35
SLC6A4 P31645 4/20 0.35
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL89790 0.92 HTR1A (0.38) RENHTR2CHTR2AHTR2BCXCR3
SCHEMBL89104 0.88 REN (0.42) RENHTR2CHTR2AHTR2BCXCR3
SCHEMBL2810313 0.86 REN (0.43) RENHTR2CHTR2AHTR2BCXCR3
SCHEMBL89476 0.85 SLC6A4 (0.43) HTR2CHTR2BCXCR3HTR1ASLC6A4
SCHEMBL90483 0.80 REN (0.42) RENCXCR3HTR1ASLC6A4
SCHEMBL88824 0.80 REN (0.37) RENCXCR3HTR1ASLC6A4EHMT2
SCHEMBL89264 0.79 REN (0.38) RENCXCR3HTR1ASLC6A4EHMT2
SCHEMBL8235663 0.79 REN (0.36) RENCXCR3HTR1ASLC6A4EHMT2
SCHEMBL13132038 0.78 REN (0.41) RENCXCR3HTR1ASLC6A4
SCHEMBL31545418 0.78 ALDH1A1 (0.42) RENHTR1ASLC6A4EHMT2

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-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

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 1/4885HTR2C 591/4885HTR2A 1331/4885

“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.