SCHEMBL634228

SCHEMBL634228

CCC(Br)C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.56
SLC6A3 Q01959 5/20 0.56
SLC6A2 P23975 3/20 0.56
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.47
KMO O15229 2/20 0.45
SRD5A2 P31213 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL633568 0.87 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL23791807 0.83 GRN (0.54) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL23792281 0.82 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL19328345 0.81 TSHR (0.52) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL11598028 0.81 CA1 (0.55)
SCHEMBL633270 0.80 TSHR (0.53) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL7878318 0.80 HTT (0.51) TSHRHDAC3HDAC1HDAC2
SCHEMBL2291278 0.79 SLC6A4 (0.56) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL23782368 0.79 TSHR (0.44) SLC6A4SLC6A3SLC6A2TSHRHPGD
SCHEMBL633919 0.78 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A4 2/4885SLC6A3 3/4885SLC6A2 1/4885

“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.