SCHEMBL13132280

SCHEMBL13132280

COCCCn1nc(-c2ccccc2)c2ccc(CNC3CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MERTK Q12866 3/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ITK Q08881 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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 SCHEMBL2806809 0.99 KMT2A (0.43) KMT2ARAB9AMEN1KDM4ETSHR
SCHEMBL13132382 0.90 BACE1 (0.42) KDM4EMERTKALDH1A1ITKAXL
Hydrochloric Acid SCHEMBL27774966 0.86 TSHR (0.47) KMT2ARAB9AMEN1KDM4ETSHR
SCHEMBL13132383 0.85 HRH1 (0.38) KMT2AMEN1ALDH1A1ITKCARM1
SCHEMBL13132386 0.84 REN (0.40) KMT2ARAB9AMEN1ALDH1A1HPGD
SCHEMBL13132438 0.84 KDM4C (0.38) KMT2ARAB9AMEN1ALDH1A1ITK
SCHEMBL13132276 0.84 REN (0.45) ALDH1A1ITKHRH3
SCHEMBL2807499 0.84 ITK (0.41) TSHRALDH1A1ITKCARM1PRMT6
SCHEMBL13132444 0.83 ITK (0.39) KMT2AMEN1TSHRALDH1A1ITK
SCHEMBL13132304 0.83 ITK (0.41) KDM4EALDH1A1HPGDITKCARM1

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 6 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
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 1278/4885RAB9A 870/4885MEN1 167/4885

“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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