SCHEMBL3210302

SCHEMBL3210302

CC(C)C(CN)C(C)C.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL1979 0.96
Ammonia Solution, Strong SCHEMBL6136995 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Bromide SCHEMBL1999327 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Fluoride SCHEMBL1025918 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Hydrochloric Acid SCHEMBL366444 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
SCHEMBL4727402 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Fluoride SCHEMBL73856 0.92 ALDH1A1 (0.44) ALDH1A1TAAR1
Trimethylammonium SCHEMBL4940105 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL4787789 0.86 ALDH1A1 (0.39) ALDH1A1
Dimethylamine SCHEMBL6889985 0.83 ALDH1A1 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-25 US claimed
EP-2079712-A2 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2009-07-22 EP claimed
WO-2008053334-A2 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2008-05-08 WO claimed
CN-116615427-A Substituted macrocyclic compounds and related methods of treatment 阿尔克姆斯有限公司 2023-08-18 CN disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
US-8318933-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD (IN) 2012-11-27 US disclosed
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-25 US disclosed
EP-2079712-A2 AN IMPROVED PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2009-07-22 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 WO disclosed
EP-0180399-B1 ANTI-TUMOR 4-HYDROXY-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1992-05-20 EP disclosed
US-4711895-A 4-hydroxy-2-cyclopentenone, process for production thereof, pharmaceutical composition comprising it TEIJIN LIMITED (JP) 1987-12-08 US disclosed
EP-0180399-A2 Anti-tumor 4-Hydroxy-2-cyclopentenones TEIJIN LIMITED (JP) 1986-05-07 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 (5 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-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1I, CACNA1S, CACNA1F ALDH1A1 2957/4885TAAR1 4642/4885
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 ALDH1A1 2060/4885TAAR1 4185/4885
US-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885TAAR1 4583/4885
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 ALDH1A1 683/4885TAAR1 1021/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ALDH1A1 796/4885TAAR1 4583/4885

“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.