SCHEMBL4461347

SCHEMBL4461347

O=C1CCCCN1C1CC[N]CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ NPY5R Q15761 4/20 0.38
▸ LTA4H P09960 3/20 0.37
▸ CTSS P25774 1/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL4971350 0.94 NPY5R (0.39) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL2176405 0.87 DPP4 (0.43) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL19271810 0.85 NOS3 (0.43) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL6103837 0.85 NOS3 (0.43) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL4974460 0.85 MAPK1 (0.33) NOS3NOS1
SCHEMBL4480479 0.85 KDM5A (0.34) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL6088399 0.83 NOS3 (0.42) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL868782 0.83 NOS3 (0.42) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL8031217 0.83 NOS3 (0.42) DPP4DPP8DPP9CYP2D6HRH1
SCHEMBL867932 0.83 NOS3 (0.42) DPP4DPP8DPP9CYP2D6HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 — — US claimed
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-15 — — US claimed
US-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 — — US claimed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 — — EP claimed
EP-0865430-B1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ASTRAZENECA AB (SE) 2004-03-03 — — EP claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 — — EP claimed
EP-0709376-B1 Phenylpiperidino derivatives as neurokinin antagonists ASTRAZENECA AB (SE) 2003-07-23 — — EP claimed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 — — EP claimed
EP-0865430-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS AstraZeneca AB (SE) 1998-09-23 — — EP claimed
US-5739149-A TREATING ASTHMA ZENECA LIMITED (GB) 1998-04-14 — — US claimed
US-5731309-A Substituted heteroalkyleneamine neurokinin antagonists ZENECA LIMITED (GB) 1998-03-24 — — US claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 — — EP claimed
WO-1997019060-A1 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1997-05-29 — — WO claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 — — EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 — — WO claimed
EP-0709376-A2 Therapeutic compounds ZENECA LIMITED (GB) 1996-05-01 — — EP claimed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 — — EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 — — WO claimed
US-7612089-B2 Tetrahydroisoquinolines as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-03 — — US disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 — — 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 (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-20060160840-A1 N-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-2N-(4-chlorophenylaminocarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; thrombosis; inhibits coagulation of a blood sample TFPI, F2, TFPI2 DPP4 332/4885DPP8 566/4885DPP9 378/4885
US-20070265270-A1 Cinnoline derivatives as phosphodiesterase 10 inhibitors PDE7A, PDE10A, PDE7B DPP4 171/4885DPP8 200/4885DPP9 78/4885

“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.

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