SCHEMBL5073531

SCHEMBL5073531

O=CNCCOc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.57
DRD2 P14416 6/20 0.57
DRD3 P35462 4/20 0.57
TAAR1 Q96RJ0 1/20 0.50
NPC1 O15118 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GPR84 Q9NQS5 1/20 0.44
ATM Q13315 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
NAMPT P43490 1/20 0.42

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 SCHEMBL5072984 0.95 DRD4 (0.53) DRD4DRD2DRD3TAAR1NPC1
SCHEMBL5072991 0.95 DRD4 (0.60) DRD4DRD2DRD3TAAR1NPC1
Hydrochloric Acid SCHEMBL6851368 0.93 DRD4 (0.58) DRD4DRD2DRD3TAAR1NPC1
SCHEMBL10191968 0.81 DRD2 (0.65) DRD4DRD2DRD3NPC1ATM
SCHEMBL5073066 0.81 DRD2 (0.57) DRD4DRD2DRD3NPC1KMT2A
SCHEMBL1547986 0.81 DRD4 (0.62) DRD4DRD2DRD3NPC1
SCHEMBL19513498 0.81 DRD2 (0.65) DRD4DRD2DRD3KMT2AMEN1
SCHEMBL5536818 0.79 DRD4 (0.49) DRD4DRD2DRD3TAAR1NPC1
Formic Acid SCHEMBL5072995 0.77 DRD4 (0.55) DRD4DRD2DRD3TAAR1NPC1
SCHEMBL5535050 0.77 ALDH1A1 (0.46) NPC1KMT2AMEN1RHOCRHOA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704089-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-19 EP disclosed
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 disclosed
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 disclosed
EP-1708994-B1 ARYLOXYALKYLCARBAMATE-TYPE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-08-08 EP disclosed
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 disclosed
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 disclosed
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 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-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 DRD4 2268/4885DRD2 2061/4885DRD3 966/4885
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 DRD4 2268/4885DRD2 2061/4885DRD3 966/4885

“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.