SCHEMBL13132284

SCHEMBL13132284

COCCCn1nc(Br)c2c(Cl)cc(CNC3CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ REN P00797 5/20 0.36
▸ ITK Q08881 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL13132412 0.88 REN (0.46) KMT2AMEN1RENITKMITF
SCHEMBL13132311 0.88 ITK (0.36) RENITKMITFALDH1A1TSHR
SCHEMBL13448649 0.86 MEN1 (0.32) KMT2AMEN1NPSR1ALDH1A1ACHE
SCHEMBL13131392 0.83 REN (0.35) KMT2AREN
SCHEMBL13132431 0.82 REN (0.36) KMT2AMEN1RENITKMITF
SCHEMBL2807499 0.82 ITK (0.41) RENITKALDH1A1TSHRKCNH2
SCHEMBL13132428 0.82 AURKA (0.35) KMT2AMEN1RENITKCDK9
SCHEMBL13132275 0.81 REN (0.36) KMT2AREN
SCHEMBL13132387 0.81 MEN1 (0.38) KMT2AMEN1RENITKMITF
SCHEMBL13132429 0.80 REN (0.40) KMT2AMEN1RENITKCYP1A2

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
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-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 KMT2A 1278/4885MEN1 167/4885REN 1/4885

“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.

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