SCHEMBL2811094

SCHEMBL2811094

COCCCN1C(=O)C(C)(C)Oc2ccc(CBr)cc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.55
CYP2C9 P11712 6/20 0.44
CYP2D6 P10635 5/20 0.44
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL2812260 0.91 REN (0.48) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL2808804 0.88 REN (0.55) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL3072690 0.88 REN (0.55) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL27801717 0.85 REN (0.52) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL3933965 0.85 REN (0.47) RENCYP2C9CYP2D6CYP3A4ALDH1A1
SCHEMBL89417 0.84 REN (0.59) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL89400 0.83 REN (0.62) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL15087927 0.83 REN (0.56) RENCYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL3939537 0.83 REN (0.40) RENCYP2C9CYP2D6CYP3A4ALDH1A1
SCHEMBL2807782 0.83 REN (0.50) RENCYP2C9CYP2D6CYP3A4CYP1A2

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
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP 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
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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 1/4885CYP2C9 257/4885CYP2D6 132/4885

“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.