SCHEMBL517348

SCHEMBL517348

CCCC1(C(N)=O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.43
CYP2C19 P33261 1/20 0.39
LMNA P02545 3/20 0.36
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
MME P08473 4/20 0.32
P2RX7 Q99572 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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 SCHEMBL28065415 0.98 CETP (0.42) CETPCYP2C19LMNACYP4F2CYP4A11
SCHEMBL8695240 0.98 CETP (0.41) CETPCYP2C19LMNACYP4F2CYP4A11
SCHEMBL1768013 0.93 CETP (0.37) CETPCYP2C19LMNACYP4F2CYP4A11
SCHEMBL4201007 0.89
SCHEMBL1858688 0.88 CETP (0.47) CETPCYP2C19LMNACYP4F2CYP4A11
SCHEMBL11299798 0.88 CETP (0.47) CETPCYP2C19LMNACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL28085803 0.86 CETP (0.46) CETPCYP2C19LMNACYP4F2CYP4A11
SCHEMBL11359161 0.85 CETP (0.44) CETPCYP2C19CYP4F2CYP4A11
SCHEMBL10823975 0.84 CETP (0.48) CETPCYP4F2CYP4A11
SCHEMBL15913813 0.84 CETP (0.48) CETPCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008119719-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO claimed
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP claimed
US-5574015-A Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-11-12 US claimed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2008119719-A1 1- (1-CYCLOHEXYL-4-PIPERIDINYL) -1, 3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES WHICH HAVE ACTIVITY ON THE M1 RECEPTOR AND THEIR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-10-09 WO disclosed
EP-1539774-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2005-06-15 EP disclosed
WO-2004018489-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2004-03-04 WO disclosed
EP-0560267-B1 Isosteric antiherpes peptide derivatives BOEHRINGER INGELHEIM CA LTD (CA) 1998-08-19 EP disclosed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CETP 152/4885CYP2C19 300/4885LMNA 2697/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY CETP 152/4885CYP2C19 300/4885LMNA 2697/4885

“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.