SCHEMBL5845337

SCHEMBL5845337

CCCC(=O)OCCN1CCN(C(=O)CCC)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.50
HRH1 P35367 6/20 0.50
DRD3 P35462 2/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
HTR4 Q13639 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39

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 SCHEMBL5843296 0.98 HRH2 (0.49) HRH2HRH1DRD3LMNAPOLB
SCHEMBL27911992 0.83 ALDH1A1 (0.47) HRH2HRH1LMNAPOLBTSHR
SCHEMBL12120100 0.81 ALDH1A1 (0.49) HRH2HRH1LMNAPOLBTSHR
SCHEMBL24745090 0.81 CHRNB2 (0.48) HRH2HRH1LMNAPOLBALDH1A1
SCHEMBL501897 0.79 ALDH1A1 (0.58) LMNAPOLBTSHRALDH1A1L3MBTL1
SCHEMBL12424660 0.78 TSHR (0.54) HRH2HRH1LMNAPOLBTSHR
SCHEMBL12550647 0.77 ALDH1A1 (0.38) HRH2HRH1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL5844774 0.77 ALDH1A1 (0.60) LMNAPOLBTSHRALDH1A1L3MBTL1
SCHEMBL14394504 0.77 HRH2 (0.44) HRH2HRH1DRD3LMNATSHR
SCHEMBL17557992 0.77 HRH2 (0.47) HRH2HRH1DRD3LMNAPOLB

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-20040127564-A1 Derivatives of butyric acid and uses thereof THE UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES 2004-07-01 US claimed
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 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
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

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 HRH2 818/4885HRH1 525/4885DRD3 1791/4885
US-20040127564-A1 Derivatives of butyric acid and uses thereof CD4, NFATC1, GABRA4 HRH2 810/4885HRH1 516/4885DRD3 1806/4885

“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.