SCHEMBL2293472

SCHEMBL2293472

O=Cc1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.55
NPY5R Q15761 3/20 0.55
PIN1 Q13526 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.47
HPGDS O60760 7/20 0.47
BTK Q06187 1/20 0.46

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
SCHEMBL12284018 0.81 SCN2A (0.51) SCN2ANPY5RPIN1MEN1NPC1
SCHEMBL15331826 0.81 PDE10A (0.39) SCN2ANPY5RPIN1MEN1NPC1
SCHEMBL15332782 0.81 NISCH (0.42) SCN2ANPY5RPIN1MEN1NPC1
SCHEMBL15331594 0.81 TRPV1 (0.46) SCN2ANPY5RPIN1MEN1NPC1
SCHEMBL15330385 0.80 NPY5R (0.50) NPY5RPIN1MEN1NPC1USP2
SCHEMBL15330826 0.80 HPGDS (0.54) SCN2APIN1MEN1NPC1USP2
SCHEMBL15333491 0.80 HRH1 (0.56) SCN2AMEN1NPC1USP2POLB
SCHEMBL15331905 0.78 COMT (0.57) SCN2ANPY5RRAB9A
SCHEMBL15332521 0.78 SCN2A (0.55) SCN2ANPC1MAPTRAB9ARECQL
SCHEMBL8740568 0.78 PIN1 (0.54) SCN2ANPY5RPIN1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2831071-B1 IMIDAZOLYL METHYL PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2018-11-14 EP disclosed
US-9051299-B2 Imidazolyl methyl piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-06-09 US disclosed
US-9051299-B2 Imidazolyl methyl piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-06-09 US disclosed
US-9051299-B2 Imidazolyl methyl piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2015-06-09 US disclosed
US-20150051248-A1 IMIDAZOLYL METHYL PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-19 US disclosed
US-20150051248-A1 IMIDAZOLYL METHYL PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-19 US disclosed
US-20150051248-A1 IMIDAZOLYL METHYL PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-19 US disclosed
EP-1699779-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061484-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
US-RE30511-E ENZYME INHIBITOR, HERBICIDE, CYCLIZATION AMERICAN CYANAMID COMPANY (US) 1981-02-10 US disclosed
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed
US-4107307-A ENZYME INHIBITORS, HERBICIDES, RING CLOSURE AMERICAN CYANAMID COMPANY (US) 1978-08-15 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 SCN2A 357/4885NPY5R 3783/4885PIN1 3767/4885
US-20150051248-A1 IMIDAZOLYL METHYL PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS CACNA1I, CACNA1G, CACNA1H SCN2A 184/4885NPY5R 2032/4885PIN1 788/4885

“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.