SCHEMBL8916450

SCHEMBL8916450

CCCN(CC)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.50
ADH1C P00326 2/20 0.47
DRD3 P35462 7/20 0.39
DRD2 P14416 5/20 0.39
DRD4 P21917 4/20 0.39
HTR1A P08908 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3373144 0.98 ADH1A (0.48) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL17439391 0.93 ADH1A (0.48) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL516269 0.90 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL11073680 0.90 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL22541111 0.90 ADH1A (0.54) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL3370178 0.87
SCHEMBL516016 0.87 ADH1A (0.52) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL629781 0.86 ADH1A (0.42) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL22536991 0.86 ADH1A (0.42) ADH1AADH1CDRD3DRD2DRD4
SCHEMBL23073672 0.85 ADH1A (0.50) ADH1AADH1CMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024042246-A1 PROCESS FOR THE PREPARATION OF A BENZENE DERIVATIVE MELETIOS THERAPEUTICS (FR) 2024-02-29 WO disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-11072632-B2 Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 UNIVERSITé LAVAL (CA) 2021-07-27 US disclosed
EP-3059238-B1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2020-05-27 EP disclosed
WO-2018045084-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. (US) 2018-03-08 WO disclosed
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 US disclosed
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 UNIVERSITé LAVAL (CA) 2014-03-27 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-20100216763-A1 Heteroaryl Amide Derivatives H. LUNDBECK A/S (DK) 2010-08-26 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-07-24 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-5703112-A Method of preventing emesis using tetrahydrobenz CD!indole-6-carbonxamides ELI LILLY AND COMPANY (US) 1997-12-30 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 (11 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 ADH1A 1104/4885ADH1C 1424/4885DRD3 409/4885
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 ADH1A 606/4885ADH1C 1355/4885DRD3 840/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 ADH1A 1040/4885ADH1C 1140/4885DRD3 465/4885
US-11072632-B2 Inhibitors of 17β-HSD1, 17β-HSD3 and 17β-HSD10 HSD17B11, HSD17B3, HSD17B1 ADH1A 97/4885ADH1C 67/4885DRD3 923/4885
US-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 ADH1A 486/4885ADH1C 587/4885DRD3 209/4885
US-20140088053-A1 INHIBITORS OF 17Beta-HSD1, 17Beta-HSD3 AND 17Beta-HSD10 HSD17B11, HSD17B1, HSD17B3 ADH1A 129/4885ADH1C 82/4885DRD3 1422/4885
US-20100216763-A1 Heteroaryl Amide Derivatives HCAR2, PIGS, GPR52 ADH1A 1321/4885ADH1C 2612/4885DRD3 1413/4885
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR ADH1A 1626/4885ADH1C 1993/4885DRD3 2595/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 ADH1A 1710/4885ADH1C 2529/4885DRD3 2302/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR ADH1A 1626/4885ADH1C 1993/4885DRD3 2595/4885
US-20080175794-A1 Substituted Pyridazinyl- and Pyrimidinyl-Quinolin-4-Ylamine Analogues PIGS, HRH4, GPR68 ADH1A 3078/4885ADH1C 3946/4885DRD3 2229/4885

“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.