SCHEMBL1433979

SCHEMBL1433979

CC(=O)NCc1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.72
RAB9A P51151 1/20 0.72
ALDH1A1 P00352 2/20 0.63
HTT P42858 2/20 0.61
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54

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
Formic Acid SCHEMBL5072918 0.93 NPC1 (0.64) NPC1RAB9AALDH1A1HTTKMT2A
Trifluoroacetic Acid SCHEMBL5941841 0.89 NPC1 (0.58) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL14204990 0.86 SETDB1 (0.59) NPC1RAB9AALDH1A1KMT2A
SCHEMBL12944004 0.85 P2RX7 (0.53) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL30858769 0.84 NPC1 (1.00) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL23933076 0.84 NPC1 (0.66) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL18255096 0.84 P2RX7 (0.54) NPC1RAB9ALMNA
SCHEMBL3561653 0.82 NPC1 (0.75) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL23368468 0.82 P2RX7 (0.54) NPC1RAB9AALDH1A1HTTL3MBTL1
SCHEMBL12851364 0.81 NPC1 (0.79) NPC1RAB9AALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
CN-101611005-A Be used as the acetophenones of the replacement of PDE4 inhibitor LEO PHARMA AS (DK) 2009-12-23 CN claimed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US claimed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
CN-1972912-A Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-05-30 CN claimed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US claimed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP claimed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP claimed
WO-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO claimed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO claimed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO claimed
CN-122059903-A Trifluoromethyl-containing fluorinated phenyl ether derivative, and preparation method and application thereof 江西凯信生物医药有限公司 2026-05-19 CN disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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 (5 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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B NPC1 2847/4885RAB9A 4359/4885ALDH1A1 457/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE NPC1 1326/4885RAB9A 107/4885ALDH1A1 391/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE NPC1 1326/4885RAB9A 107/4885ALDH1A1 391/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 NPC1 3311/4885RAB9A 313/4885ALDH1A1 2056/4885
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 NPC1 3021/4885RAB9A 505/4885ALDH1A1 913/4885

“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.