SCHEMBL968362

SCHEMBL968362

O=C(c1ccccc1)C1CCN(C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.59
MGLL Q99685 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HSD11B1 P28845 2/20 0.57
ALDH1A1 P00352 2/20 0.55
HTR2A P28223 1/20 0.51
MAPK1 P28482 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL21848101 1.00 CPB1 (0.59) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL3723522 0.90 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL2556107 0.89 CPB1 (0.67) CPB1MGLLKMT2AMEN1HSD11B1
Hydrochloric Acid SCHEMBL6998897 0.89 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL1719734 0.88 MGLL (0.68) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL5481329 0.87 ALDH1A1 (0.65) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL22491508 0.85 CPB1 (0.49) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL11349476 0.83 KMT2A (0.54) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL21848140 0.81 EPHX2 (0.44) CPB1MGLLKMT2AMEN1HSD11B1
SCHEMBL21848139 0.81 EPHX2 (0.44) CPB1MGLLKMT2AMEN1HSD11B1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640242-B1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN LTD (CN) 2023-04-19 EP disclosed
US-11078161-B2 Rock-inhibiting compound and uses thereof HITGEN INC. (CN) 2021-08-03 US disclosed
CN-109134367-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2020-10-02 CN disclosed
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF HITGEN INC. (CN) 2020-06-18 US disclosed
EP-3640242-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF Hitgen Ltd. (CN) 2020-04-22 EP disclosed
EP-2318362-A2 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS Theravance, Inc. (US) 2011-05-11 EP disclosed
US-7872028-B2 Diaminopropanol renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2011-01-18 US disclosed
WO-2010011811-A2 3-(PHENOXYPHENYLMETHYL)PYRROLIDINE COMPOUNDS THERAVANCE, INC. (US) 2010-01-28 WO disclosed
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders VITAE PHARMACEUTICALS, INC. 2009-07-23 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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 (3 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-11078161-B2 Rock-inhibiting compound and uses thereof ROCK1, ROCK2, RHOA CPB1 2311/4885MGLL 3371/4885KMT2A 2008/4885
US-20090186884-A1 such as N-(3-amino-2-hydroxypropyl)-3-(1-(2-(2-ethylphenoxy)phenyl)-1-hydroxy-5-;methoxypentyl)piperidine-1-carboxamide, used for the treatment of cardiovascular disorders DNPEP, ACE, DPEP1 CPB1 39/4885MGLL 772/4885KMT2A 1856/4885
US-20200190035-A1 ROCK-INHIBITING COMPOUND AND USES THEREOF ROCK1, ROCK2, RHOA CPB1 2311/4885MGLL 3371/4885KMT2A 2008/4885

“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.