SCHEMBL3387188

SCHEMBL3387188

c1ccc2c(c1)CN1CCCC1=N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 1.00
BCHE P06276 4/20 1.00
MEN1 O00255 1/20 0.97
USP2 O75604 1/20 0.97
ALDH1A1 P00352 1/20 0.97
LMNA P02545 1/20 0.97
CYP3A4 P08684 1/20 0.97
KMT2A Q03164 1/20 0.97
HRH3 Q9Y5N1 1/20 0.47
PDE3B Q13370 1/20 0.45
PDE3A Q14432 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
SCHEMBL29416837 1.00 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL30600296 0.98 MEN1 (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL9540233 0.93 ACHE (1.00) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970452 0.77 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969414 0.77 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969953 0.77 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969190 0.77 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969749 0.76 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL13657721 0.74 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969338 0.73 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
EP-2686320-B1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 WO disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-20040132751-A1 Use of desoxypeganine for treating central nervous system symptoms resulting from intoxications by psychotrops HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2004-07-08 US disclosed
EP-1404341-A1 ACTIVE SUBSTANCE COMBINATION FOR MEDICAMENTOUS THERAPY OF NICOTINE DEPENDENCY HF ARZNEIMITTELFORSCHUNG GmbH (DE) 2004-04-07 EP disclosed
US-6627631-B1 Desoxypeganine and its pharmaceutically acceptable acid addition salts can be used in the treatment of alcoholism. Said substances are administered preferably in a continuous and controlled manner. The pharmaceutical administration form LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2003-09-30 US disclosed
US-6599511-B1 Pharmaceutical composition containing desoxypeganine for the treatment of drug dependence LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2003-07-29 US disclosed
US-6558696-B1 Storage stable transdermal therapeutic system for controlled release of 1,2,3,9-tetrahydropyrrolo(2,1-b)quinazoline; alzheimer's disease LTS LOHMANN THERAPIE SYSTEME AG (DE) 2003-05-06 US disclosed
US-6558696-B1 Storage stable transdermal therapeutic system for controlled release of 1,2,3,9-tetrahydropyrrolo(2,1-b)quinazoline; alzheimer's disease LTS LOHMANN THERAPIE SYSTEME AG (DE) 2003-05-06 US disclosed
WO-2003007966-A1 ACTIVE SUBSTANCE COMBINATION FOR MEDICAMENTOUS THERAPY OF NICOTINE DEPENDENCY HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2003-01-30 WO disclosed
EP-1152763-B1 USE OF DESOXYPEGANINE FOR THE TREATMENT OF DRUG DEPENDENCE LOHMANN THERAPIE SYST LTS (DE) 2002-12-04 EP disclosed
EP-1152751-A1 DESOXYPEGANINE TRANSDERMAL THERAPEUTIC SYSTEM LTS Lohmann Therapie-Systeme AG (DE) 2001-11-14 EP disclosed
WO-2000048579-A1 DESOXYPEGANINE TRANSDERMAL THERAPEUTIC SYSTEM LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2000-08-24 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACHE 1285/4885BCHE 947/4885MEN1 3398/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACHE 971/4885BCHE 731/4885MEN1 3481/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B ACHE 1285/4885BCHE 947/4885MEN1 3398/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B ACHE 1285/4885BCHE 947/4885MEN1 3398/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B ACHE 971/4885BCHE 731/4885MEN1 3481/4885

“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.