SCHEMBL1114932

SCHEMBL1114932

CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCNC(=O)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.60
GNAI3 P08754 1/20 0.57
GNAO1 P09471 1/20 0.57
GNAI1 P63096 1/20 0.57
NAAA Q02083 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
NOD1 Q9Y239 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL1114852 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114670 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114962 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114510 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114672 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114444 1.00 CCR2 (0.60) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114636 0.99 CCR2 (0.57) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114779 0.93 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114881 0.93 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA
SCHEMBL1114637 0.93 MEN1 (0.54) CCR2GNAI3GNAO1GNAI1NAAA

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 5 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-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 CCR2 1075/4885GNAI3 4399/4885GNAO1 4185/4885

“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.