SCHEMBL13132276

SCHEMBL13132276

COCCCn1nc(C)c2ccc(CNC3CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.45
▸ ITK Q08881 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ SLC22A12 Q96S37 4/20 0.34
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL2807499 0.89 ITK (0.41) RENITKHRH3ALDH1A1PARP1
SCHEMBL13132439 0.87 ITK (0.40) RENITKHRH3ALDH1A1SLC22A12
SCHEMBL13132448 0.86 ITK (0.39) RENITKHRH3ALDH1A1SLC22A12
SCHEMBL13132304 0.85 ITK (0.41) RENITKHRH3ALDH1A1
SCHEMBL13132446 0.85 ITK (0.42) RENITKHRH3ALDH1A1SLC22A12
SCHEMBL13132280 0.84 KMT2A (0.41) ITKHRH3ALDH1A1
SCHEMBL13132445 0.84 ITK (0.38) RENITKHRH3ALDH1A1PARP1
SCHEMBL13132384 0.83 HRH3 (0.41) RENITKHRH3ALDH1A1
Hydrochloric Acid SCHEMBL2806809 0.83 KMT2A (0.43) ITKHRH3ALDH1A1
SCHEMBL13132383 0.83 HRH1 (0.38) RENITKHRH3ALDH1A1

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 REN 1/4885ITK 2985/4885HRH3 379/4885

“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