SCHEMBL1002871

SCHEMBL1002871

NCC1(Cc2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.47
GSK3B P49841 2/20 0.47
DRD2 P14416 1/20 0.43
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAOB P27338 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 2/20 0.34

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 SCHEMBL4875338 0.98 AKT2 (0.46) AKT2GSK3BDRD2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1003304 0.98 AKT2 (0.46) AKT2GSK3BDRD2SLC6A4SLC6A3
SCHEMBL19368539 0.83 ABAT (0.41) AKT2GSK3BTAAR1KMT2AHTR3A
SCHEMBL13540017 0.83 CYP1A2 (0.38) AKT2GSK3BSLC6A4TAAR1ADRB1
SCHEMBL16657597 0.83 DRD2 (0.43) AKT2GSK3BDRD2SLC6A4SLC6A3
SCHEMBL20037360 0.83 LOXL2 (0.41) AKT2GSK3BSLC6A4SLC6A3TAAR1
SCHEMBL23083579 0.82 MAOA (0.47) SLC6A4SLC6A3TAAR1MEN1KMT2A
SCHEMBL12586345 0.82 SIGMAR1 (0.44) SLC6A4SLC6A3TAAR1SIGMAR1
Hydrochloric Acid SCHEMBL23070913 0.81 MAOA (0.46) SLC6A4SLC6A3TAAR1MEN1KMT2A
SCHEMBL15057273 0.79 TAAR1 (0.43) TAAR1LMNAMEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719018-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2025-08-27 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3421471-B1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2021-05-26 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3719018-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Ltd (GB) 2020-10-07 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-3421471-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2019-01-02 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
EP-2272517-B2 ORTHO -CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G. PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2017-09-20 EP disclosed
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
EP-2272517-A1 Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors ASTEX THERAPEUTICS LIMITED (UK) 2009-10-01 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
WO-2007125321-A2 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (3 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-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B AKT2 412/4885GSK3B 850/4885DRD2 3776/4885
US-20090247538-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK2, CDK1, OXSR1 AKT2 496/4885GSK3B 644/4885DRD2 1476/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 AKT2 126/4885GSK3B 182/4885DRD2 897/4885

“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.