SCHEMBL2007941

SCHEMBL2007941

OC1CCC(N2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MBTD1 Q05BQ5 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
TP53BP1 Q12888 1/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
PKM P14618 1/20 0.39
FYN P06241 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL7314752 1.00 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL15115908 1.00 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL2006418 0.97 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL15115938 0.97 L3MBTL3 (0.43) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL2002883 0.92 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL32671991 0.92 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL827994 0.86
SCHEMBL20756261 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL26394048 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19
SCHEMBL26111928 0.86 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1CYP2D6CYP2C19

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023137446-A1 PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed
WO-2023283373-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDLICS AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-01-12 WO disclosed
EP-3059238-B1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2020-05-27 EP disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
WO-2014194242-A2 FLT3 INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-12-04 WO disclosed
WO-2014194201-A2 CDK8 INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-12-04 WO disclosed
WO-2014194245-A2 CDK8 INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-12-04 WO disclosed
EP-2802330-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2014-11-19 EP disclosed
WO-2013106535-A9 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2014-09-04 WO disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 L3MBTL3 943/4885L3MBTL1 549/4885MBTD1 1575/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 L3MBTL3 1939/4885L3MBTL1 2537/4885MBTD1 3603/4885

“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.