Malonic Acid

Malonic Acid

SCHEMBL5193537

Clc1ccc(C2=CC3CCC(C2)N3)cc1.O=C(O)CC(=O)O

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
P2RY14 Q15391 1/20 0.44
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 1/20 0.33

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
SCHEMBL32667973 0.87 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14SLC6A3SLC6A4
SCHEMBL6214667 0.87 CHRNB2 (0.55) CHRNB2CHRNA4P2RY14SLC6A3SLC6A4
Malonic Acid SCHEMBL5196987 0.86 CHRNB2 (0.42) CHRNB2CHRNA4P2RY14SLC6A3SLC6A4
SCHEMBL12093045 0.75 CHRNB2 (0.67) CHRNB2CHRNA4P2RY14SLC6A4
SCHEMBL5194310 0.72 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14SLC6A3
SCHEMBL5194296 0.72 CHRNB2 (0.51) CHRNB2CHRNA4P2RY14SLC6A3
Hydrochloric Acid SCHEMBL18111494 0.71 CHRNB2 (0.54) CHRNB2CHRNA4P2RY14
SCHEMBL7214949 0.70 CHRNB2 (0.52) CHRNB2CHRNA4P2RY14SLC6A3SLC6A4
Cadaverine Tartrate SCHEMBL1023809 0.69 P2RY14 (0.45) CHRNB2CHRNA4P2RY14SLC6A3SLC6A4
Malonic Acid SCHEMBL5193759 0.69 SLC6A4 (0.51) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859777-B1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2007-05-23 EP disclosed
EP-1149095-B1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH AS (DK) 2004-01-21 EP disclosed
US-6617459-B2 8-azabicyclo(3.2.1)oct-2-ene and 9-azabicyclo(3.3.1)non-2-ene derivatives; monoamine neurotransmitter and serotonine reuptake inhibitors; radionuclide-labeled derivatives for diagnosis and detection NEUROSEARCH A/S (DK) 2003-09-09 US disclosed
US-20010047028-A1 Novel azabicyclo derivatives and their use ANIONA APS (DK) 2001-11-29 US disclosed
EP-1149095-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2001-10-31 EP disclosed
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP disclosed
US-6100275-A SEROTONIN RE-UPTAKE INHIBITORS; ANTIDEPRESSANTS NEUROSEARCH A/S (DK) 2000-08-08 US disclosed
WO-2000044746-A1 NOVEL AZABICYCLO DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2000-08-03 WO disclosed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO disclosed
EP-0859777-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-08-26 EP disclosed
WO-1997013770-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-04-17 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 (1 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-20010047028-A1 Novel azabicyclo derivatives and their use TACR2, TACR3, GPR68 CHRNB2 66/4885CHRNA4 117/4885P2RY14 372/4885

“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.