SCHEMBL1114779

SCHEMBL1114779

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR2 P41597 1/20 0.53
CNR2 P34972 9/20 0.51
CNR1 P21554 6/20 0.51
TRPV1 Q8NER1 6/20 0.51
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
NAAA Q02083 3/20 0.46
EPHX2 P34913 1/20 0.43

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
SCHEMBL195625 1.00 MEN1 (0.54) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL1114881 1.00 MEN1 (0.54) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL1114637 1.00 MEN1 (0.54) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL1114444 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114852 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114932 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114672 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114962 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114510 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3
SCHEMBL1114670 0.93 CCR2 (0.60) CCR2CNR2CNR1TRPV1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US claimed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 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 (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-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 MEN1 2473/4885ALDH1A1 1775/4885MAPT 44/4885

“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.