SCHEMBL2809218

SCHEMBL2809218

COCCCN1C(=O)C(C)(C)Oc2cc(CNC3CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.44
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ITK Q08881 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.36
CYP2D6 P10635 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35

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 SCHEMBL2809236 0.99 REN (0.43) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2807782 0.92 REN (0.50) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13168697 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL2805180 0.83 REN (0.48) RENALDH1A1KMT2APOLBHPGD
SCHEMBL2812260 0.83 REN (0.48) RENKMT2APOLBHPGDCYP2D6
SCHEMBL13168799 0.78 ALDH1A1 (0.45) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL90462 0.78 REN (0.51) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18508789 0.76 REN (0.41) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL89662 0.76 REN (0.48) RENALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL5985373 0.75 REN (0.57) RENALDH1A1KMT2APOLBCYP2D6

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
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
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 1/4885ALDH1A1 2202/4885SMN1; SMN2 3903/4885

“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.