SCHEMBL3758566

SCHEMBL3758566

O=C(O)c1ccc(-c2ccc(F)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.64
BCL2L1 Q07817 1/20 0.58
BAD Q92934 1/20 0.58
FASN P49327 1/20 0.53
MAP4K4 O95819 2/20 0.52
ADH5 P11766 2/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
GCGR P47871 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAPK1 P28482 1/20 0.47
MAP2K4 P45985 1/20 0.47
MAPK6 Q16659 1/20 0.47
PYGL P06737 2/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6253145 0.85 SRD5A2 (0.72) SRD5A2MAP4K4ADH5RXRARXRB
Hydrochloric Acid SCHEMBL9812960 0.84 SRD5A2 (0.70) SRD5A2MAP4K4ADH5RXRARXRB
SCHEMBL411705 0.82 BCL2L1 (0.62) BCL2L1BADMAP4K4ADH5GCGR
SCHEMBL444367 0.82 SRD5A2 (0.90) SRD5A2MAP4K4ADH5RXRARXRB
SCHEMBL11762828 0.82 RAB9A (0.51) SRD5A2FASNGCGRLMNANPC1
SCHEMBL12171771 0.81 NPC1 (0.63) SRD5A2BCL2L1BADKDM4EHSD17B10
SCHEMBL31067069 0.81 GRM2 (0.48) FASNGCGRMAPK14KDM4ENPC1
SCHEMBL1262207 0.81 GRM2 (0.48) FASNGCGRMAPK14KDM4ENPC1
SCHEMBL26572470 0.81 PTGS1 (0.55) FASNMAPK14MAPK1MAP2K4KDM4E
SCHEMBL10717595 0.81 SRD5A2 (0.66) SRD5A2ADH5RXRARXRBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US claimed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 US disclosed
EP-1444225-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. Applied Research Systems ARS Holding N.V. (AN) 2004-08-11 EP disclosed
WO-2002102799-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 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-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF SRD5A2 498/4885BCL2L1 4523/4885BAD 638/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 SRD5A2 405/4885BCL2L1 4210/4885BAD 422/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R SRD5A2 1228/4885BCL2L1 4085/4885BAD 3056/4885

“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.