SCHEMBL5844533

SCHEMBL5844533

CCCC(=O)OC1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NAAA Q02083 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
CHRM3 P20309 3/20 0.46
CHRM1 P11229 2/20 0.46
MLNR O43193 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46

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
Hydrochloric Acid SCHEMBL5843353 0.98 ALDH1A1 (0.52) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL7746812 0.89 SMN1; SMN2 (0.62) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL17296564 0.89 NAAA (0.60) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL23120693 0.86 NAAA (0.71) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL29663742 0.86 NAAA (0.71) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL17686363 0.86 NAAA (0.71) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL26127863 0.86 NAAA (0.71) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL31404784 0.86 NAAA (0.71) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL27826248 0.85 SMN1; SMN2 (0.61) ALDH1A1NAAASMN1; SMN2RAB9AMAPT
SCHEMBL16897737 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127564-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2004-07-01 US claimed
US-20020143056-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2002-10-03 US claimed
WO-2000073257-A1 DERIVATIVES OF BUTYRIC ACID AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2000-12-07 WO claimed
CN-104860920-A Alcaftadine intermediate preparation method WUHAN WUYAO SCIENCE & TECHNOLOGY CO LTD 2015-08-26 CN disclosed
US-7034020-B2 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCE (US) 2006-04-25 US disclosed
US-20040127564-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2004-07-01 US disclosed
US-6664394-B2 As inactivator of antigen- specific T cells is useful in the prophylaxis or therapy of autoimmune diseases, disorders involving an autoimmune component or neoplastic diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2003-12-16 US disclosed
US-20020143056-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2002-10-03 US disclosed
US-6407107-B1 4-(MORPHOLINO)ALKYL BUTANAMIDE DERIVATIVES; AUTOIMMUNE DISEASES; ANTICARCINOGENIC AGENTS THE BOARD OF TRUSTEES OF THE UNVERSITY OF ARKANSAS 2002-06-18 US disclosed
WO-2000073257-A1 DERIVATIVES OF BUTYRIC ACID AND USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2000-12-07 WO disclosed
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
EP-0596933-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-18 EP disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 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-20020143056-A1 Derivatives of butyric acid and uses thereof CD4, NFATC1, GABRA4 ALDH1A1 858/4885NAAA 1282/4885SMN1; SMN2 2088/4885
US-20040127564-A1 Derivatives of butyric acid and uses thereof CD4, NFATC1, GABRA4 ALDH1A1 849/4885NAAA 1261/4885SMN1; SMN2 2008/4885

“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.