SCHEMBL131067

SCHEMBL131067

O=C1CCCC(N2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL2 Q8N8U2 1/20 0.33
CDYL Q9Y232 1/20 0.33
CDY1; CDY1B Q9Y6F8 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1822607 0.86 MAPK1 (0.45) L3MBTL1L3MBTL3MAPK1MEN1KMT2A
SCHEMBL11008209 0.84 MAPK1 (0.43) L3MBTL1L3MBTL3MAPK1ALDH1A1
SCHEMBL11003669 0.82 MAPK1 (0.42) L3MBTL1L3MBTL3MAPK1MEN1KMT2A
SCHEMBL863778 0.80 MAPK1 (0.43) L3MBTL1L3MBTL3MAPK1ALDH1A1HRH3
SCHEMBL863645 0.79 MAPK1 (0.42) L3MBTL1L3MBTL3MAPK1MEN1KMT2A
SCHEMBL131020 0.78 MAPK1 (0.47) L3MBTL1L3MBTL3MAPK1ALDH1A1HRH3
SCHEMBL30475621 0.77 MAPK1 (0.41) L3MBTL1L3MBTL3MAPK1MEN1KMT2A
SCHEMBL30761740 0.77 MAPK1 (0.41) L3MBTL1L3MBTL3MAPK1MEN1KMT2A
SCHEMBL7003240 0.76 MAPK1 (0.43) L3MBTL1L3MBTL3MAPK1ALDH1A1OPRL1
SCHEMBL5250892 0.76 MAPK1 (0.43) L3MBTL1L3MBTL3MAPK1ALDH1A1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds GRUENENTHAL GMBH (DE) 2012-03-08 US disclosed
WO-2012028331-A1 SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US disclosed
EP-0186087-A1 Tetrahydro-benzothiazoles, their production and their use as intermediates or drugs Dr. Karl Thomae GmbH (DE) 1986-07-02 EP disclosed
US-4555537-A IMIDAZOLINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1985-11-26 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 (2 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 SMN1; SMN2 3310/4885L3MBTL1 4065/4885L3MBTL3 4342/4885
US-20120058999-A1 Substituted Tetrahydropyrrolopyrazine Compounds BDKRB1, BDKRB2, LTB4R SMN1; SMN2 2489/4885L3MBTL1 4265/4885L3MBTL3 4558/4885

“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.