Formic Acid

Formic Acid

SCHEMBL5073761

O=C(NCc1c(F)cccc1Cl)C1CC1.O=CO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.58
EPHX2 P34913 1/20 0.57
ATM Q13315 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SCN9A Q15858 2/20 0.45
SCN5A Q14524 1/20 0.45
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL2472420 0.94 P2RX7 (0.62) P2RX7EPHX2ATMHTTGAA
SCHEMBL6362551 0.89 P2RX7 (0.60) P2RX7EPHX2ATMGAAKMT2A
SCHEMBL6356852 0.88 P2RX7 (0.59) P2RX7EPHX2ATMGAAKMT2A
Formic Acid SCHEMBL5075653 0.85 P2RX7 (0.55) P2RX7EPHX2KMT2AALDH1A1SMN1; SMN2
Formic Acid SCHEMBL5073763 0.81 HTT (0.56) P2RX7EPHX2ATMHTTGAA
Formic Acid SCHEMBL5082474 0.79 PKM (0.60) ATMKMT2AALDH1A1PKM
SCHEMBL4598761 0.79 P2RX7 (0.60) P2RX7EPHX2KMT2AALDH1A1SMN1; SMN2
Formic Acid SCHEMBL5073526 0.77 ALDH1A1 (0.60) P2RX7EPHX2GAAKMT2AALDH1A1
SCHEMBL3166962 0.76 PKM (0.51) P2RX7EPHX2ALDH1A1PKM
SCHEMBL13167361 0.75 CYP1A2 (0.60) P2RX7EPHX2ATMHTTGAA

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 10 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
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP disclosed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP 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-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO 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-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 P2RX7 737/4885EPHX2 439/4885ATM 4622/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 P2RX7 598/4885EPHX2 1014/4885ATM 4698/4885

“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.