SCHEMBL4138971

SCHEMBL4138971

O=C(NC1CC[N]CC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SMYD3 Q9H7B4 1/20 0.54
CARM1 Q86X55 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
PKM P14618 1/20 0.50
CYP46A1 Q9Y6A2 1/20 0.50

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
SCHEMBL124395 0.87 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2230140 0.87 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL11025569 0.85 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27945424 0.85 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL161227 0.83 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2316588 0.83 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23573216 0.81 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24673320 0.81 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23594174 0.81 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8396558 0.81 NPC1 (0.73) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP claimed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
EP-0338352-A3 SALICYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 1990-03-14 EP disclosed
US-4409224-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1983-10-11 US disclosed
US-4307234-A Pyrimido[1,6-a]indole derivatives AMERICAN HOME PRODUCTS CORP. (US) 1981-12-22 US disclosed
WO-1980000537-A1 PYRIMIDO(1,6-A)INDOLE DERIVATIVES AMERICAN HOME PROD (US) 1980-04-03 WO disclosed
EP-0008950-A2 Pyrimido(1,6-a)indole derivatives and intermediates therefor, processes for their preparation, pharmaceutical compositions containing the derivatives and their use AMERICAN HOME PRODUCTS CORPORATION (US) 1980-03-19 EP disclosed
US-4091222-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, ANTITUSSIVE, CNS EFFECTS, ANAESTHETICS, ANTIARRHYTHMIC, HYPOTENSIVE, ANTICOAGULANTS MANGHISI ELSO 1978-05-23 US disclosed
US-4061637-A CNS, CARDIOVASCULAR, ANTIINFLAMMATORY, ADRENOLYTIC, ANTIULCER ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-12-06 US disclosed
US-4046762-A CENTRAL NERVOUS SYSTEM INHIBITORS INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1977-09-06 US disclosed
US-3988475-A ANAESTHETICS, ANTIARRHYTHMIA, HYPOTENSIVES, ADRENERGIC ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-10-26 US disclosed
US-3970672-A 2,2 Disubstituted-benzodioxoles ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-07-20 US disclosed
US-3951978-A ANALGESIC, ANTIARRHYTHMIC, CENTRAL NERVOUS DEPRESSANT ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-04-20 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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ NPC1 2544/4885RAB9A 2232/4885MEN1 4225/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 NPC1 596/4885RAB9A 2757/4885MEN1 662/4885

“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.