SCHEMBL5651614

SCHEMBL5651614

O=CNCC1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 1.00
ADH1C P00326 5/20 1.00
ADH1B P00325 4/20 1.00
ADH7 P40394 3/20 1.00
ADH4 P08319 2/20 1.00
LMNA P02545 1/20 0.48
EPHX1 P07099 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36

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
SCHEMBL303776 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH7ADH4
SCHEMBL8606031 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH7ADH4
SCHEMBL8952019 1.00 ADH1A (1.00) ADH1AADH1CADH1BADH7ADH4
SCHEMBL304641 0.97
SCHEMBL1608989 0.95
SCHEMBL207500 0.87
SCHEMBL23697411 0.86 ADH1B (0.75) ADH1AADH1CADH1BADH7ADH4
SCHEMBL13243254 0.85 ADH1B (0.74) ADH1AADH1CADH1BADH7ADH4
SCHEMBL24202181 0.82 ADH1B (0.68) ADH1AADH1CADH1BADH7ADH4
SCHEMBL24942187 0.82 ADH1B (0.68) ADH1AADH1CADH1BADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 ADH1A 2285/4885ADH1C 2811/4885ADH1B 2746/4885

“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.