SCHEMBL2805213

SCHEMBL2805213

COCCCOc1cc(CNC2CC2)cc(Cl)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
POLB P06746 1/20 0.51
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MITF O75030 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
OPRK1 P41145 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.47
KDM1A O60341 1/20 0.46
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
TSHR P16473 1/20 0.42

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
Hydrochloric Acid SCHEMBL2809405 0.99 KMT2A (0.66) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL13132096 0.86 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL13132095 0.85 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL2806160 0.85 POLB (0.54) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL13132094 0.85 MITF (0.56) KMT2AMEN1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL2810258 0.84 MITF (0.58) KMT2AMEN1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL2807612 0.84 POLB (0.53) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL2086320 0.82 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL89209 0.81 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL13132329 0.80 BCHE (0.48) KMT2AMEN1ALDH1A1KDM4EPOLB

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 8 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-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
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 KMT2A 1278/4885MEN1 167/4885ALDH1A1 2202/4885

“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.