Formic Acid

Formic Acid

SCHEMBL5072995

CNCCOc1ccc(Cl)cc1.O=CO

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.55
DRD2 P14416 4/20 0.55
DRD3 P35462 4/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HTR1B P28222 2/20 0.53
HTR1D P28221 1/20 0.53
NPC1 O15118 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL2472084 0.89 HTR1B (0.64) DRD4DRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL21595631 0.88 HTR1B (0.62) DRD4DRD2DRD3KDM4EALDH1A1
Formic Acid SCHEMBL5075586 0.85 MTNR1A (0.58) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL6849549 0.84 HTR1B (0.66) DRD4DRD2DRD3KDM4EALDH1A1
Formic Acid SCHEMBL5072984 0.83 DRD4 (0.53) DRD4DRD2DRD3NPC1TAAR1
Hydrochloric Acid SCHEMBL6851374 0.82 HTR1B (0.63) DRD4DRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5004335 0.81 DRD4 (0.66) DRD4DRD2DRD3HTR1BHTR1D
Formic Acid SCHEMBL5073493 0.78 DRD2 (0.56) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL5073531 0.77 DRD4 (0.57) DRD4DRD2DRD3NPC1TAAR1
SCHEMBL7405331 0.77 HTR1B (0.58) DRD4DRD2DRD3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.