SCHEMBL89104

SCHEMBL89104

CCc1cc(OCCCOC)c2c(c1)OCC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
HTR1A P08908 5/20 0.35
SLC6A4 P31645 5/20 0.35
HTR2C P28335 5/20 0.34
HTR2A P28223 4/20 0.34
HTR2B P41595 1/20 0.34
CXCR3 P49682 4/20 0.34
PTGS2 P35354 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL88824 0.92 REN (0.37) RENHTR1ASLC6A4CXCR3PTGS2
SCHEMBL13132011 0.88 REN (0.41) RENHTR1ASLC6A4HTR2CHTR2A
SCHEMBL2810313 0.88 REN (0.43) RENHTR1ASLC6A4HTR2CHTR2A
SCHEMBL88826 0.85 HTR1A (0.41) RENHTR1ASLC6A4CXCR3PTGS2
SCHEMBL31545418 0.82 ALDH1A1 (0.42) RENHTR1ASLC6A4ALDH1A1CYP3A4
SCHEMBL90483 0.81 REN (0.42) RENHTR1ASLC6A4CXCR3ALDH1A1
SCHEMBL31544850 0.81 MAOB (0.33) HTR1ASLC6A4HTR2CHTR2AHTR2B
SCHEMBL89264 0.80 REN (0.38) RENHTR1ASLC6A4CXCR3PKM
SCHEMBL8235663 0.80 REN (0.36) RENHTR1ASLC6A4CXCR3PKM
SCHEMBL89790 0.80 HTR1A (0.38) RENHTR1ASLC6A4HTR2CHTR2A

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 5 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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (2 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 1/4885HTR1A 1272/4885SLC6A4 1492/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885HTR1A 652/4885SLC6A4 895/4885

“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.