SCHEMBL315728

SCHEMBL315728

O=C(O)CCCc1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.63
HDAC3 O15379 1/20 0.63
MAPK1 P28482 1/20 0.63
ADRA1A P35348 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
FFAR1 O14842 2/20 0.56
CYP1A2 P05177 2/20 0.56
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TAAR1 Q96RJ0 3/20 0.52

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
SCHEMBL1205707 0.95 MAPT (0.62) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL1206928 0.93 MAPT (0.66) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL334758 0.89 FFAR1 (0.68) FFAR1TAAR1PKM
SCHEMBL28229641 0.87 FFAR1 (0.51) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL25342051 0.87 HDAC3 (0.76) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL2090292 0.86 TAAR1 (0.56) SLC6A3FFAR1TAAR1NAAADRD2
SCHEMBL10110719 0.84 TAAR1 (0.50) SLC6A3FFAR1TAAR1NAAADRD2
SCHEMBL8084064 0.84 TAAR1 (0.50) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29010038 0.82 SMN1; SMN2 (0.63) SLC6A3HDAC3MAPK1ADRA1AHDAC4
SCHEMBL30427751 0.82 SMN1; SMN2 (0.63) SLC6A3HDAC3MAPK1ADRA1AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
CN-116897206-A Oral delivery of PCSK 9-targeting antisense conjugates 四纬生物制药股份有限公司 2023-10-17 CN disclosed
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 US disclosed
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2021-09-16 US disclosed
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed
EP-2822572-B1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2020-06-10 EP disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC (US) 2020-04-16 US disclosed
EP-3432904-A2 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2019-01-30 EP disclosed
CN-1309631-A Aminomethylcarboxylic acid derivs AKZO NOBEL NV (NL) 2001-08-22 CN disclosed
EP-1100769-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES Akzo Nobel N.V. (NL) 2001-05-23 EP disclosed
EP-1042275-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 2000-10-11 EP disclosed
WO-2000007978-A1 AMINOMETHYLCARBOXYLIC ACID DERIVATIVES AKZO NOBEL N.V. (NL) 2000-02-17 WO disclosed
WO-1999029657-A1 ANTICONVULSANT AND CENTRAL NERVOUS SYSTEM-ACTIVE BIS(FLUOROPHENYL)ALKYLAMIDES NPS PHARMACEUTICALS, INC. (US) 1999-06-17 WO disclosed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US disclosed
CN-1151735-A Benzocycloalkylazolethione derivatives SYNTEX INC (US) 1997-06-11 CN disclosed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP disclosed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US disclosed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 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-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE PINK1, NME4, AK2 SLC6A3 1229/4885HDAC3 2917/4885MAPK1 1681/4885
US-20210284606-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 SLC6A3 1784/4885HDAC3 2660/4885MAPK1 2783/4885
US-20200115333-A1 TETRALIN AND INDANE DERIVATIVES AND USES THEREOF ERLIN1, INSRR, PSEN1 SLC6A3 1784/4885HDAC3 2660/4885MAPK1 2783/4885

“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.