SCHEMBL2765367

SCHEMBL2765367

Clc1ccc(CC(Cl)Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.56
SLC6A2 P23975 2/20 0.52
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 3/20 0.44
TAAR1 Q96RJ0 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
AGXT P21549 2/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
CHRNA4 P43681 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL8322312 0.79 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL4010409 0.78 SLC6A2 (0.61) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL20187556 0.78 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL9481327 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL1278885 0.77 EPHX1 (0.50) SLC6A4SLC6A2SLC6A3TAAR1CYP2A6
SCHEMBL2763601 0.75 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL1077215 0.75 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL1047496 0.75 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL2326795 0.75 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3IDO1TAAR1
SCHEMBL6683952 0.75 SLC6A3 (0.52) SLC6A4SLC6A2SLC6A3IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024222736-A1 CHEMOKINE RECEPTOR MODULATOR PREPARATION METHOD AND USE 浙江华海药业股份有限公司 2024-10-31 WO disclosed
EP-1599201-B1 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
US-7411073-B2 Selective non-steroidal glucocorticoid receptor modulators MERCK & CO., INC. (US) 2008-08-12 US disclosed
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism MERCK SHARP & DOHME CORP. 2006-04-06 US disclosed
WO-2004075840-A9 SELECTIVE NON-STEROIDAL GLUCOCORTICOID RECEPTOR MODULATORS MERCK & CO INC (US) 2005-08-04 WO disclosed
WO-2004065389-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE XENOVA LIMITED (GB) 2004-08-05 WO disclosed
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
US-5262420-A Phenylalkylpyridines IDEMITSU KOSAN CO., LTD. (JP) 1993-11-16 US disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed
EP-0383950-A1 PYRIDINE DERIVATIVES AND INSECTICIDAL AND MITICIDAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-08-29 EP 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 (1 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-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism NR3C1, NR3C2, NR5A1 SLC6A4 2429/4885SLC6A2 4072/4885SLC6A3 3499/4885

“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.