SCHEMBL2808531

SCHEMBL2808531

COCCCn1nc(Br)c2ccc(CC3(NC(=O)O)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.37
▸ HTR4 Q13639 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ SLC22A12 Q96S37 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADRB2 P07550 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
SCHEMBL2833989 0.86 HRH1 (0.37) RENHTR4KCNH2SLC22A12ALDH1A1
SCHEMBL2810347 0.85 KDM4C (0.40) RENHTR4KCNH2ALDH1A1HPGD
SCHEMBL2813583 0.85 SLC22A12 (0.39) RENHTR4KCNH2SLC22A12ALDH1A1
SCHEMBL2840438 0.84 REN (0.37) RENHTR4KCNH2ALDH1A1KDM4E
SCHEMBL2806953 0.83 REN (0.33) RENHTR4KCNH2MEN1KMT2A
SCHEMBL2806190 0.78 REN (0.45) RENHTR4KCNH2KMO
SCHEMBL13132266 0.77 REN (0.36) RENSLC22A12ALDH1A1HPGDKDM4E
SCHEMBL2808527 0.77 REN (0.46) REN
SCHEMBL2805458 0.76 HTR4 (0.37) RENHTR4KCNH2MAPK1
SCHEMBL2811756 0.74 ALDH1A1 (0.44) RENALDH1A1HPGDKDM4EMEN1

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 1/4885HTR4 1324/4885KCNH2 39/4885

“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.

Send feedback