SCHEMBL793757

SCHEMBL793757

Nc1cnccc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.42
AOC3 Q16853 2/20 0.42
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP17A1 P05093 13/20 0.39
OPRL1 P41146 1/20 0.37

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
SCHEMBL29517316 1.00 AOC1 (0.42) AOC1AOC3GAAKDM4EMEN1
Ammonia Solution, Strong SCHEMBL22749582 0.98 AOC1 (0.41) AOC1AOC3GAAKDM4EMEN1
Hydrochloric Acid SCHEMBL9953248 0.98 AOC1 (0.44) AOC1AOC3GAAKDM4EMEN1
SCHEMBL17282368 0.90 CYP11B2 (0.47) AOC1AOC3GAAALDH1A1MAPT
SCHEMBL16702989 0.87 RPS6KA3 (0.50) AOC1AOC3GAAKDM4EMEN1
SCHEMBL29939336 0.87 RPS6KA3 (0.50) AOC1AOC3GAAKDM4EMEN1
SCHEMBL27820281 0.85 CYP17A1 (0.38) AOC1AOC3KDM4EMEN1KDM6B
SCHEMBL28449153 0.84 ALDH1A1 (0.36) AOC1AOC3GAAKDM4EMEN1
SCHEMBL15770398 0.84 HTR1D (0.43) GAACYP17A1
SCHEMBL29517619 0.83 GAA (0.45) AOC1AOC3GAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP claimed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US claimed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US claimed
US-12441726-B2 Compounds and uses thereof FOGHORN THERAPEUTICS, INC. (US) 2025-10-14 US disclosed
US-12421228-B2 Naphthyridine derivatives as PRC2 inhibitors Mirati Therapeutics, Inc. (US) 2025-09-23 US disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
WO-2025133395-A1 BICYCLIC (HETERO)ARYLENE WRN INHIBITORY COMPOUNDS FORX THERAPEUTICS AG (CH) 2025-06-26 WO disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 US disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
EP-2313408-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-27 EP disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
WO-2009158396-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 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 (7 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AOC1 2804/4885AOC3 4150/4885GAA 180/4885
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS DYRK1A, DYRK2, DYRK1B AOC1 4484/4885AOC3 3913/4885GAA 715/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE AOC1 2804/4885AOC3 4150/4885GAA 180/4885
US-12441726-B2 Compounds and uses thereof VHL, CLN6, TFEB AOC1 3542/4885AOC3 2610/4885GAA 9/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 AOC1 2167/4885AOC3 3345/4885GAA 42/4885
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors SAMHD1, CD4, DNPEP AOC1 1661/4885AOC3 3408/4885GAA 453/4885
US-12421228-B2 Naphthyridine derivatives as PRC2 inhibitors BMI1, EZH2, SUZ12 AOC1 3916/4885AOC3 4458/4885GAA 2256/4885

“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.