SCHEMBL433071

SCHEMBL433071

NC(CN1CCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MITF O75030 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
KCNA5 P22460 3/20 0.45
CYP2C19 P33261 3/20 0.45
KCNH2 Q12809 3/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 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
SCHEMBL5561079 1.00 ALDH1A1 (0.50) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL2911573 1.00 ALDH1A1 (0.50) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL3051447 0.98 ALDH1A1 (0.49) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL15767970 0.98 ALDH1A1 (0.49) ALDH1A1MITFHTTRAB9AGFER
Hydrochloric Acid SCHEMBL6009377 0.98 ALDH1A1 (0.53) ALDH1A1MITFHTTRAB9AGFER
Hydrochloric Acid SCHEMBL12487350 0.98 ALDH1A1 (0.53) ALDH1A1MITFHTTRAB9AGFER
Hydrochloric Acid SCHEMBL20238067 0.98 ALDH1A1 (0.53) ALDH1A1MITFHTTRAB9AGFER
Hydrochloric Acid SCHEMBL4347694 0.98 ALDH1A1 (0.53) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL4821437 0.98 ALDH1A1 (0.49) ALDH1A1MITFHTTRAB9AGFER
Hydrochloric Acid SCHEMBL4357625 0.98 ALDH1A1 (0.53) ALDH1A1MITFHTTRAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US claimed
EP-3551626-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2019-10-16 EP disclosed
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
EP-2822928-B1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS Dr Reddys Laboratories Ltd (IN) 2018-11-14 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
WO-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed
WO-2018106284-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2018-06-14 WO disclosed
CN-104271552-B Substituted heterocyclic acetamides as KAPPA Opioid Receptor (KOR) agonists 雷迪博士实验室有限公司 2017-08-08 CN disclosed
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS DR. REDDY'S LABORATORIES, LTD. (IN) 2017-01-05 US disclosed
CN-1041087-C Arylacetamides MERCK PATENT AG (DE) 1998-12-09 CN disclosed
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
CN-1121072-A Acetamides MERCK PATENG GES MIT BESCHRANK (DE) 1996-04-24 CN disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP disclosed
CN-1079219-A Arylacetamide MERCK PATENT GMBH (DE) 1993-12-08 CN disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A ALDH1A1 6/4885MITF 1982/4885HTT 4684/4885
US-20170001998-A1 SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS OPRK1, OPRL1, OPRD1 ALDH1A1 786/4885MITF 4025/4885HTT 2847/4885
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 ALDH1A1 1649/4885MITF 3668/4885HTT 3363/4885

“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.