SCHEMBL6736241

SCHEMBL6736241

CCNC(=O)C1(C)CC(C)(C(=O)NCC)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ FAAH O00519 1/20 0.32

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
SCHEMBL13296274 0.91 FFAR3 (0.41) KMT2ACYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL12073745 0.85 — —
SCHEMBL26081876 0.81 ALDH1A1 (0.40) KMT2ACYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL22550258 0.81 ALDH1A1 (0.40) KMT2ACYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL19026677 0.79 HTT (0.42) KMT2ACYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL18018805 0.79 KMT2A (0.40) KMT2ACYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL10304246 0.79 DRD2 (0.41) KMT2ACYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL13448190 0.79 ALDH1A1 (0.36) KMT2ACYP3A4CYP2C19ALDH1A1HPGD
SCHEMBL24025620 0.76 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1136202 0.75 HPGD (0.66) KMT2ACYP3A4CYP2C19ALDH1A1HPGD

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-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 — — US disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 — — US disclosed
US-8110679-B2 Nanofilm and membrane compositions COVALENT PARTNERS LLC (US) 2012-02-07 — — US disclosed
US-7595368-B2 Nanofilm compositions with polymeric components COVALENT PARTNERS, LLC (US) 2009-09-29 — — US disclosed
US-20090114596-A1 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS LLC 2009-05-07 — — US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 — — US disclosed
US-7432371-B2 Nanofilm and membrane compositions COVALENT PARTNERS, LLC (US) 2008-10-07 — — US disclosed
US-7368564-B2 Bridged macrocyclic module compositions COVALENT PARTNERS, LLC (US) 2008-05-06 — — US 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 KMT2A 3432/4885CYP3A4 1574/4885CYP2C19 1067/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 KMT2A 3294/4885CYP3A4 1547/4885CYP2C19 1107/4885

“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.

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