SCHEMBL2467120

SCHEMBL2467120

O=C(NCc1ccccc1Cl)C1CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
PKM P14618 4/20 0.65
TP53 P04637 1/20 0.64
THRB P10828 1/20 0.63
HPGD P15428 1/20 0.62
GAA P10253 1/20 0.62
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
P2RX7 Q99572 2/20 0.59
EPHX2 P34913 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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 SCHEMBL5073526 0.94 ALDH1A1 (0.60) NPC1RAB9AALDH1A1LMNAPKM
Trifluoroacetic Acid SCHEMBL5076828 0.90 ALDH1A1 (0.56) NPC1RAB9AALDH1A1LMNAPKM
SCHEMBL4033144 0.89 CHRM1 (0.67) NPC1RAB9AALDH1A1LMNAPKM
SCHEMBL13746191 0.87 TP53 (0.68) ALDH1A1LMNAPKMTP53GAA
SCHEMBL23042304 0.85 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAPKM
SCHEMBL3163916 0.84 P2RX7 (0.64) ALDH1A1LMNAPKMTP53THRB
SCHEMBL3162081 0.84 P2RX7 (0.65) PKMTP53HPGDGAAPLA2G1B
SCHEMBL2475349 0.83 ALDH1A1 (0.61) ALDH1A1TP53GAA
SCHEMBL25881587 0.83 HPGD (0.56) ALDH1A1LMNAPKMTP53THRB
SCHEMBL5072892 0.81 PKM (0.66) NPC1ALDH1A1LMNAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US 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
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP 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
WO-2007034445-A2 NOVEL PIPERAZINE DERIVATIVES AS RENIN INHIBITORS FOR CARDIOVASCULAR EVENTS AND RENAL INSUFFICIENCY ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO 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
CN-1649870-A 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) 2005-08-03 CN 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

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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 NPC1 2702/4885RAB9A 476/4885ALDH1A1 39/4885
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.