SCHEMBL846

SCHEMBL846

Cc1c(CCl)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
NR3C1 P04150 1/20 0.31
ERBB2 P04626 1/20 0.31
TP53 P04637 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL7310245 0.84 CYP11B1 (0.34) CYP11B1CYP11B2KMT2AMEN1CYP1A2
SCHEMBL9585649 0.84 TAAR1 (0.35) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL6743058 0.81 CYP11B1 (0.33) CYP11B1CYP11B2KMT2AMEN1CYP1A2
SCHEMBL7274096 0.81 MEN1 (0.37) CYP11B1CYP11B2KMT2AMEN1KCNN4
SCHEMBL10457156 0.80 P2RX3 (0.36) CYP11B1CYP11B2KMT2AMEN1LMNA
SCHEMBL6667217 0.79 CYP11B1 (0.37) CYP11B1CYP11B2MAPTTSHRRAB9A
SCHEMBL7273914 0.78 ADRA2C (0.35) CYP11B1CYP11B2ADRB2ADRB1CYP2D6
SCHEMBL6662261 0.78 KDM4E (0.34) CYP11B1CYP11B2TSHRTBXAS1RAB9A
SCHEMBL10439558 0.78 CYP1A2 (0.44) CYP11B1CYP11B2KMT2AMEN1SLC22A1
SCHEMBL1003836 0.77 CYP11B1 (0.34) CYP11B1CYP11B2KMT2AMEN1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
EP-2014291-B1 Piperazinone compounds as anti-tumor and anti-cancer agents UNIV YALE (US) 2011-10-26 EP disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-7763620-B2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2010-07-27 US disclosed
EP-1427418-B1 PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS UNIV YALE (US) 2009-11-11 EP disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
US-7501436-B2 5-HT3 receptor antagonists and methods of use ARYX THERAPEUTICS, INC. (US) 2009-03-10 US disclosed
EP-2014291-A2 Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment YALE UNIVERSITY (US) 2009-01-14 EP disclosed
EP-0353983-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1990-02-07 EP disclosed
EP-0339959-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP disclosed
EP-0336759-A1 Imidazole derivatives GLAXO GROUP LIMITED (GB) 1989-10-11 EP disclosed
US-4859662-A Tetrahydro-imidazolylmethylcarbazolones and analogs thereof for treating 5-HT function disturbances GLAXO GROUP LIMITED (GB) 1989-08-22 US disclosed
US-4822881-A PSYCHOTIC DISORDERS, ANXIETY, NAUSEA, VOMITING GLAXO GROUP LIMITED 1989-04-18 US disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed
US-4808581-A ANXIOLYTIC, ANTIEMETIC, TREATMENT OF PSYCHOLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 1989-02-28 US disclosed
US-4738979-A ADRENERGIC RECEPTORS; ANTI-CONVULSIVE DRUG; TREATMENT OF METABOLIC AND NEUTRAL DISORDERS G. D. SEARLE & CO. (US) 1988-04-19 US disclosed
EP-0242973-A1 Indole derivatives, method for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1987-10-28 EP disclosed
EP-0194984-A1 Derivatives of imidazole, their preparation and utilisation, and pharmaceutical compositions containing these derivatives CONTINENTAL PHARMA, INC. (BE) 1986-09-17 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 (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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 CYP11B1 540/4885CYP11B2 522/4885KMT2A 1992/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 CYP11B1 540/4885CYP11B2 522/4885KMT2A 1992/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP11B1 4653/4885CYP11B2 4477/4885KMT2A 3083/4885

“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.