SCHEMBL2465728

SCHEMBL2465728

CCC(N)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
KCNH2 Q12809 1/20 0.31
SLC6A2 P23975 6/20 0.31
SLC6A4 P31645 6/20 0.31
SLC6A3 Q01959 6/20 0.31
SHBG P04278 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
GNAO1 P09471 3/20 0.31
GNAI3 P08754 2/20 0.31
GNAI1 P63096 2/20 0.31
NOS2 P35228 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
SCHEMBL24838517 1.00 DPP4 (0.44) DPP4CPN1CPB2KCNH2SLC6A2
SCHEMBL9210144 0.86
SCHEMBL4500790 0.86
SCHEMBL19251155 0.86
SCHEMBL13738433 0.86
SCHEMBL2266330 0.86
Iodide SCHEMBL9406526 0.85 KCNH2 (0.36) DPP4KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL22798913 0.82 DPP4 (0.42) DPP4CPN1CPB2SLC6A2SLC6A4
SCHEMBL5025923 0.82
SCHEMBL6082609 0.82

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
CN-116768868-B Pyridazinone thio derivative and preparation method and application thereof 云南省药物研究所 2023-12-08 CN disclosed
WO-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed
CN-116768868-A Pyridazinone thio derivative and preparation method and application thereof 云南省药物研究所 2023-09-19 CN disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
CN-114014845-B Epoxy group-containing compound, liquid crystal aligning agent, and preparation method and application thereof 波米科技有限公司 2023-06-02 CN disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
CN-114014845-A Epoxy group-containing compound, liquid crystal aligning agent, and preparation method and application thereof 波米科技有限公司 2022-02-08 CN disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8372851-B2 Pyrazolo pyrimidines as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2013-02-12 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
EP-1948663-B1 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-09-14 EP disclosed
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2010-05-27 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
EP-1948663-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048066-A2 PYRAZOLO-PYRIMIDINES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
CN-1040436-C Pharmaceuticals SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed
CN-1073173-A Preparation method as the compound of 5-hydroxytryptamine receptor antagonist SMITHKLINE BEECHAM PLC (GB) 1993-06-16 CN disclosed
US-4220764-A Preparation of tertiary heterocyclic amines UOP INC. (US) 1980-09-02 US disclosed
US-4179469-A Preparation of amines UOP INC. (US) 1979-12-18 US 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 DPP4 3185/4885CPN1 3604/4885CPB2 3522/4885
US-20100130488-A1 Pyrazolo-Pyrimidines as Casein Kinase II (CK2) Modulators CSNK1A1, CSNK2A1, CSNK2A2 DPP4 1268/4885CPN1 420/4885CPB2 605/4885

“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.