SCHEMBL14734253

SCHEMBL14734253

Clc1cnc(C2CCNCC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HRH4 Q9H3N8 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
USP7 Q93009 2/20 0.36
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
HTR6 P50406 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
Hydrochloric Acid SCHEMBL30758569 0.98 HTR3A (0.40) HTR3AHRH3HRH4SLC18A3SIGMAR1
SCHEMBL2636802 0.88 HTR3A (0.52) HTR3A
Hydrochloric Acid SCHEMBL29277042 0.86 HTR3A (0.50) HTR3A
SCHEMBL11086191 0.84 MAPK1 (0.39) HRH4NPC1RAB9AMAPK1
SCHEMBL6782585 0.82 HTR3A (0.46) HTR3ANPC1RAB9AMAPK1KMT2A
SCHEMBL31736812 0.81 SLC18A3 (0.48) HRH3HRH4SLC18A3SIGMAR1USP7
SCHEMBL25330171 0.79 USP7 (0.46) HRH3HRH4SLC18A3SIGMAR1USP7
SCHEMBL12068365 0.79 HTR2C (0.43) HRH3SLC18A3SIGMAR1CDK7CDK9
SCHEMBL31438848 0.79 HRH4 (0.42) HRH3HRH4SLC18A3SIGMAR1CDK9
SCHEMBL14243072 0.79 HRH3 (0.41) HRH3SLC18A3SIGMAR1USP7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025245178-A1 PAK4, CSTF2, OR CSTF2T PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS INNOVO THERAPEUTICS, INC. (US) 2025-11-27 WO disclosed
CN-116925099-B Preparation method and application of chiral dihydrothienopyrimidine sulfoxide and 2-and 4-substituted compound thereof 厦门大学 2025-06-03 CN disclosed
WO-2025092985-A1 PHOSPHODIESTERASE 4B INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥医工医药股份有限公司 2025-05-08 WO disclosed
CN-119930644-A Phosphodiesterase 4B inhibitor and preparation method and application thereof 合肥医工医药股份有限公司 2025-05-06 CN disclosed
WO-2025020462-A1 PREPARATION METHOD FOR CHIRAL DIHYDROTHIENOPYRIMIDINE SULFOXIDE AND USE THEREOF, AND 2- AND 4-SUBSTITUTED COMPOUND OF CHIRAL DIHYDROTHIENOPYRIMIDINE SULFOXIDE 厦门大学 2025-01-30 WO disclosed
WO-2023241684-A1 PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
WO-2023241683-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ACTING AS PDE4B INHIBITOR 武汉人福创新药物研发中心有限公司 2023-12-21 WO disclosed
CN-117247394-A Nitrogen-containing heterocycles as PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed
CN-117247395-A PDE4B inhibitors 武汉人福创新药物研发中心有限公司 2023-12-19 CN disclosed
CN-116925099-A Preparation method and application of chiral dihydrothienopyrimidine sulfoxide and 2-and 4-substituted compound thereof 厦门大学 2023-10-24 CN disclosed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 US disclosed
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
WO-2013083591-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 US disclosed
US-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-28 US disclosed
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-07 US disclosed
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-07 US disclosed
WO-2013026797-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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 (4 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-20130079359-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, SQOR, TST HTR3A 3049/4885HRH3 111/4885HRH4 12/4885
US-20140228286-A1 SPECIFIC PDE4B-INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS PDE4B, PDE3B, PDE4A HTR3A 2717/4885HRH3 3330/4885HRH4 2418/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 HTR3A 280/4885HRH3 408/4885HRH4 383/4885
US-20130059866-A1 NOVEL PIPERIDINO-DIHYDROTHIENOPYRIMIDINE SULFOXIDES AND THEIR USE FOR TREATING COPD AND ASTHMA CBS, SQOR, TST HTR3A 3049/4885HRH3 111/4885HRH4 12/4885

“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.