SCHEMBL13444

SCHEMBL13444

c1cnc2c(n1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 3/20 0.33
LMNA P02545 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
BPTF Q12830 1/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL2942689 0.97 NPC1 (0.35) NPC1RAB9AACHELMNANOS3
SCHEMBL3988214 0.97 NPC1 (0.35) NPC1RAB9AACHELMNANOS3
SCHEMBL3993781 0.97 NPC1 (0.35) NPC1RAB9AACHELMNANOS3
SCHEMBL30375761 0.93
SCHEMBL1313095 0.93
SCHEMBL19239761 0.85
SCHEMBL15492456 0.78 GRM1 (0.31) NPC1RAB9A
SCHEMBL18071867 0.76 PDK1 (0.30)
SCHEMBL18058989 0.75 FABP4 (0.30)
SCHEMBL12111262 0.74 FKBP5 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630406-A1 AMIDE COMPOUNDS AS ACTIVATORS OF THE POTASSIUM CHANNELS KV7.2/KV7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP claimed
EP-4630404-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2025-10-15 EP claimed
EP-4630411-A1 FORMULATION FOR AROMATIZING A FOOD PRODUCT Döhler GmbH (DE) 2025-10-15 EP claimed
WO-2025105341-A1 METAL PATTERNING MATERIAL, PENTAFLUOROSULFANYL COMPOUND, METAL PATTERNING THIN FILM, ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC APPARATUS, AND METAL PATTERN FORMING METHOD 東ソー株式会社 2025-05-22 WO claimed
WO-2024248132-A1 METAL PATTERNING MATERIAL, HETEROCYCLIC COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTRONIC APPARATUS, AND METAL PATTERN FORMATION METHOD 東ソー株式会社 2024-12-05 WO claimed
CN-118234414-A Nut butter imitation produced from separate components 航行食品股份有限公司 2024-06-21 CN claimed
WO-2024121046-A1 AMIDE COMPOUNDS AS ACTIVATORS OF THE POTASSIUM CHANNELS KV7.2/KV7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO claimed
WO-2024120760-A1 FORMULATION FOR AROMATIZING A FOOD PRODUCT DÖHLER GmbH (DE) 2024-06-13 WO claimed
WO-2024121048-A1 UREA COMPOUNDS AS ACTIVATORS OF POTASSIUM CHANNELS KV7.2/7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO claimed
EP-4362756-A1 NUT BUTTER REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2024-05-08 EP claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 WO claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-28 US claimed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0076085-A1 Production of monoacylpyrazines PHILIP MORRIS INCORPORATED (US) 1983-04-06 EP claimed

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-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors TFPI, F12, F2 NPC1 2915/4885RAB9A 3299/4885ACHE 1669/4885
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT NPC1 325/4885RAB9A 2691/4885ACHE 1941/4885
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 NPC1 3112/4885RAB9A 2444/4885ACHE 1169/4885

“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.