SCHEMBL2937568

SCHEMBL2937568

CCC(C)n1cnc(C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM5A P29375 1/20 0.34
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ACHE P22303 2/20 0.30
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL14926161 1.00 ALDH1A1 (0.34) ALDH1A1ADORA2AADORA2BADORA1CYP1A2
SCHEMBL18250759 0.84 CYP1A2 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL14857102 0.83 KDM5A (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL14857100 0.83 KDM5A (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL27831990 0.82 ADORA2A (0.33) ADORA2AADORA2BADORA1KDM5A
SCHEMBL27867139 0.81 CYP2C19 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8135609 0.81 CYP1A2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12812791 0.80 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL27867156 0.80 CYP2C19 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL28807936 0.79 KDM5A (0.32) ADORA2AADORA2BADORA1KDM5A

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
US-8742168-B2 Process for the production of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-06-03 US claimed
US-8637699-B2 Process for the manufacture of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-01-28 US claimed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US claimed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US claimed
US-11352356-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-07 US disclosed
WO-2021239643-A1 BENZYLAMINE DERIVATIVES AS DDRS INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-12-02 WO disclosed
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. 2020-10-08 US disclosed
US-9499529-B2 Therapeutic uses of curcumin analogs for treatment of prostate cancer CALIFORNIA STATE UNIVERSITY, FRESNO (US) 2016-11-22 US disclosed
US-8742168-B2 Process for the production of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-06-03 US disclosed
US-8637699-B2 Process for the manufacture of acetic acid LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2014-01-28 US disclosed
CN-101918368-B Method for improving the hydrolysis stability of ionic liquids BASF SE 2013-04-24 CN disclosed
US-20120310009-A1 Process for the Production of Acetic Acid LYONDELL CHEMICAL COMPANY (US) 2012-12-06 US disclosed
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID LYONDELLBASELL ACETYLS, LLC 2012-10-18 US disclosed
CN-102414241-A Microencapsulated composition containing imidazole compound, curable composition using same, and masterbatch-type curing agent ASAHI KASEI E MATERIALS CORP 2012-04-11 CN disclosed
CN-101918368-A Method for improving the hydrolysis stability of ionic liquids BASF SE 2010-12-15 CN disclosed
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASE SE (DE) 2010-10-21 US disclosed
EP-2229365-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2010-09-22 EP disclosed
WO-2009077452-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS BASF SE (DE) 2009-06-25 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 (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-11352356-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3157/4885ADORA2A 4351/4885ADORA2B 3375/4885
US-20120264971-A1 PROCESS FOR THE MANUFACTURE OF ACETIC ACID DBI, IDH1, ACAD9 ALDH1A1 69/4885ADORA2A 2605/4885ADORA2B 1670/4885
US-20120310009-A1 Process for the Production of Acetic Acid DBI, FLI1, ACADM ALDH1A1 52/4885ADORA2A 3389/4885ADORA2B 2830/4885
US-20200317667-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 ALDH1A1 3157/4885ADORA2A 4351/4885ADORA2B 3375/4885
US-20100267596-A1 METHOD FOR IMPROVING THE HYDROLYSIS STABILITY OF IONIC LIQUIDS LIPA, IDE, CEL ALDH1A1 997/4885ADORA2A 3412/4885ADORA2B 2701/4885

“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.