SCHEMBL634330

SCHEMBL634330

CCCCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.58
TSHR P16473 2/20 0.56
HTR7 P34969 1/20 0.56
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KMO O15229 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
SCHEMBL1448283 0.95 HSD17B3 (0.59) HSD17B3TSHRHTR7HDAC3HDAC4
SCHEMBL11491110 0.93 HSD17B3 (0.60) HSD17B3TSHRHTR7HDAC3HDAC4
SCHEMBL11495380 0.93 HSD17B3 (0.60) HSD17B3TSHRHTR7HDAC3HDAC4
SCHEMBL1447695 0.93 HSD17B3 (0.60) HSD17B3TSHRHTR7HDAC3HDAC4
SCHEMBL634176 0.89 HSD17B3 (0.55) HSD17B3TSHRHDAC3HDAC4HDAC1
SCHEMBL14775644 0.84 TSHR (0.52) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL11646987 0.82 HDAC3 (0.46) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL11548828 0.82 KMO (0.50) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL4609783 0.82 KMO (0.53) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6360749 0.82 TSHR (0.55) TSHRHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143415-A1 TREATMENT OF ANEURYSMS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-05-11 US disclosed
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 US disclosed
CN-107266388-A A kind of aminothiazole analog derivative 重庆大学 2017-10-20 CN disclosed
EP-2841418-B1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN LA ROCHE (CH) 2017-03-08 EP disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US disclosed
US-9527810-B2 (3,4-dichloro-phenyl)-((S)-3-propyl-pyrrolidin-3-yl)-methanone hydrochloride and manufacturing processes HOFFMANN-LA ROCHE INC. (US) 2016-12-27 US disclosed
US-9527810-B2 (3,4-dichloro-phenyl)-((S)-3-propyl-pyrrolidin-3-yl)-methanone hydrochloride and manufacturing processes HOFFMANN-LA ROCHE INC. (US) 2016-12-27 US disclosed
US-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
US-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES HOFFMANN-LA ROCHE INC. (US) 2015-02-12 US disclosed
WO-2013160273-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-31 WO disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 WO disclosed
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 US disclosed
EP-1670755-A4 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF HARVARD COLLEGE (US) 2007-02-28 EP disclosed
EP-1670755-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF President And Fellows of Harvard College (US) 2006-06-21 EP disclosed
WO-2005034878-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-04-21 WO disclosed
US-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 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 (6 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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 HSD17B3 225/4885TSHR 530/4885HTR7 130/4885
US-20230143415-A1 TREATMENT OF ANEURYSMS KYNU, HAAO, HCAR2 HSD17B3 899/4885TSHR 4479/4885HTR7 588/4885
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 HSD17B3 211/4885TSHR 365/4885HTR7 43/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 HSD17B3 211/4885TSHR 365/4885HTR7 43/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 HSD17B3 211/4885TSHR 365/4885HTR7 43/4885
US-20150045408-A1 (3,4-DICHLORO-PHENYL)-((S)-3-PROPYL-PYRROLIDIN-3-YL)-METHANONE HYDROCHLORIDE AND MANUFACTURING PROCESSES CYP2C19, CYP2D6, CYP4B1 HSD17B3 37/4885TSHR 3992/4885HTR7 232/4885

“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.