SCHEMBL3824873

SCHEMBL3824873

CCc1ncc(C(=O)O)n1C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GABRA1 P14867 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ BRD4 O60885 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL3824877 1.00 ALDH1A1 (0.50) ALDH1A1TDP1GABRA1LMNACYP1A2
Hydrochloric Acid SCHEMBL6516189 0.99 ALDH1A1 (0.49) ALDH1A1TDP1GABRA1LMNACYP1A2
Amidate SCHEMBL30937751 0.83 GABRA1 (0.74) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL15988340 0.82 GABRA1 (0.48) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL28191535 0.81 ALDH1A1 (0.43) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL6518667 0.81 ALDH1A1 (0.43) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL28188102 0.81 ALDH1A1 (0.48) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL24283708 0.79 ALDH1A1 (0.52) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL24283843 0.79 ALDH1A1 (0.52) ALDH1A1TDP1GABRA1LMNACYP1A2
SCHEMBL21298732 0.79 ALDH1A1 (0.52) ALDH1A1TDP1GABRA1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184512-B1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE MASSACHUSETTS GEN HOSPITAL (US) 2020-12-23 — — EP disclosed
US-10154991-B2 Anesthetic compounds and related methods of use ANNOVATION BIOPHARMA, INC. (US) 2018-12-18 — — US disclosed
US-20180098968-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2018-04-12 — — US disclosed
US-9820971-B2 Anesthetic compounds and related methods of use THE GENERAL HOSPITAL CORPORATION (US) 2017-11-21 — — US disclosed
US-20170273951-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2017-09-28 — — US disclosed
EP-3184512-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE The General Hospital Corporation (US) 2017-06-28 — — EP disclosed
US-9522136-B2 Anesthetic compounds and related methods of use THE GENERAL HOSPITAL CORPORATION (US) 2016-12-20 — — US disclosed
EP-2802325-B1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE GEN HOSPITAL CORP (US) 2016-11-30 — — EP disclosed
US-20150328189-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE ANNOVATION BIOPHARMA, LLC. (US) 2015-11-19 — — US disclosed
US-9156825-B2 Anesthetic compounds and related methods of use THE GENERAL HOSPITAL CORPORATION (US) 2015-10-13 — — US disclosed
US-20150203476-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE THE GENERAL HOSPITAL CORPORATION 2015-07-23 — — US disclosed
EP-2802325-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE The General Hospital Corporation (US) 2014-11-19 — — EP disclosed
WO-2013106717-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE THE GENERAL HOSPITAL CORPORATION (US) 2013-07-18 — — WO disclosed
US-20090156562-A1 NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS WINCH PETER D 2009-06-18 — — US disclosed
EP-1951248-A2 NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS Winch, Peter D. (US) 2008-08-06 — — EP disclosed
WO-2007059019-A2 NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS WINCH PETER D (US) 2007-05-24 — — WO disclosed
CN-1138540-C Antalgic and sedative oral etomidate preparation 中国人民解放军第四军医大学 2004-02-18 — — CN disclosed
CN-1308938-A Antalgic and sedative oral etomidate preparation MILITARY MEDICAL UNIV NO 4 OF (CN) 2001-08-22 — — CN 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 (6 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-20150328189-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE OPRM1, OPRK1, OPRL1 ALDH1A1 77/4885TDP1 2811/4885GABRA1 62/4885
US-20170273951-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE OPRM1, OPRK1, OPRL1 ALDH1A1 77/4885TDP1 2811/4885GABRA1 62/4885
US-20150203476-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE OPRM1, OPRK1, OPRL1 ALDH1A1 77/4885TDP1 2811/4885GABRA1 62/4885
US-10154991-B2 Anesthetic compounds and related methods of use OPRM1, OPRK1, OPRL1 ALDH1A1 77/4885TDP1 2811/4885GABRA1 62/4885
US-20090156562-A1 NOVEL COLORED SOLUTIONS OF INJECTABLE DRUGS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS CYP3A5, IK, ACHE ALDH1A1 640/4885TDP1 4115/4885GABRA1 351/4885
US-20180098968-A1 ANESTHETIC COMPOUNDS AND RELATED METHODS OF USE OPRM1, OPRK1, OPRL1 ALDH1A1 77/4885TDP1 2811/4885GABRA1 62/4885

“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.

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