SCHEMBL172559

SCHEMBL172559

CCCNC(C)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
LMNA P02545 2/20 0.68
CHRM2 P08172 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
SMPD1 P17405 1/20 0.68
DRD1 P21728 1/20 0.68
TBXA2R P21731 1/20 0.68
SLC6A2 P23975 1/20 0.68
SLC6A4 P31645 1/20 0.68
ADRA1A P35348 1/20 0.68
OPRM1 P35372 1/20 0.68
DRD3 P35462 1/20 0.68
CASR P41180 1/20 0.68
HTR2B P41595 1/20 0.68
SLC6A3 Q01959 1/20 0.68
KCNH2 Q12809 1/20 0.68
CYP1A2 P05177 1/20 0.68

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
SCHEMBL12964253 1.00 CYP3A4 (0.68) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL12964248 1.00 CYP3A4 (0.68) CYP3A4LMNACHRM2HTR1AADRA2A
Ammonia Solution, Strong SCHEMBL17257941 0.98 CYP3A4 (0.66) CYP3A4LMNACHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL27701535 0.98 KMT2A (0.69) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL7029067 0.89 CASR (0.56) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL24406703 0.89 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL5471668 0.89 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3881700 0.89 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3881699 0.89 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL13676409 0.88 CYP3A4 (0.63) CYP3A4LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10647701-B2 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2020-05-12 US disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
EP-2358709-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2014-01-22 EP disclosed
US-8618137-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-12-31 US disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US disclosed
CN-100482680-C excitatory amino acid prodrugs LILLY CO ELI (US) 2009-04-29 CN disclosed
CN-101362793-A Prodrugs of excitatory amino acids LILLY CO ELI (US) 2009-02-11 CN disclosed
US-7432239-B2 Polyoxyalkylene compound and method for making CENTRAL MICHIGAN UNIVERSITY BOARD OF TRUSTEES (US) 2008-10-07 US disclosed
CN-101084236-A excitatory amino acid prodrugs LILLY CO ELI (US) 2007-12-05 CN disclosed
CN-1181690-A Herbicidal aza bisphosphonic acids and compsns. containing the same ZENECA LTD (GB) 1998-05-13 CN disclosed
EP-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 EP disclosed
US-5464847-A Moduators of corticotropin releasing factor ELF SANOFI (FR) 1995-11-07 US disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed
US-4958029-A Process for the production of isoindoline derivatives, novel intermediates and process for their production BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
EP-0275064-A2 Process for the production of isoindoline derivatives, novel intermediates and process for their production Banyu Pharmaceutical Co., Ltd. (JP) 1988-07-20 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 CYP3A4 3920/4885LMNA 1247/4885CHRM2 4883/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 CYP3A4 68/4885LMNA 3106/4885CHRM2 95/4885
US-10647701-B2 3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof XDH, H1-0, RXFP1 CYP3A4 162/4885LMNA 731/4885CHRM2 47/4885

“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.