SCHEMBL1712995

SCHEMBL1712995

COC(=O)C1CC(=O)N([C@@H](C)c2ccccc2)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.75
MAPK1 P28482 2/20 0.60
BRD4 O60885 1/20 0.50
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL4748004 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL2183176 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL5460103 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL1713280 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL1713279 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL27885819 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL1712998 1.00 KMT2A (0.75) KMT2AMAPK1BRD4MAPTSMN1; SMN2
SCHEMBL14310707 0.87 KMT2A (0.71) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL739505 0.87 KMT2A (0.71) KMT2AMAPK1MAPTSMN1; SMN2HPGD
SCHEMBL9428951 0.87 KMT2A (0.71) KMT2AMAPK1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115551-A1 SYNTHESIS OF RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-04-10 US disclosed
WO-2025076071-A2 SYNTHESIS OF RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-04-10 WO disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 US disclosed
EP-1987034-B1 SPIRO CONDENSED PIPERIDINES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMA (US) 2011-07-20 EP disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 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 (4 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-20250115551-A1 SYNTHESIS OF RAS INHIBITORS KRAS, NRAS, HRAS KMT2A 1901/4885MAPK1 133/4885BRD4 815/4885
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 KMT2A 2362/4885MAPK1 2911/4885BRD4 764/4885
US-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 KMT2A 2268/4885MAPK1 2116/4885BRD4 1997/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KMT2A 2362/4885MAPK1 2911/4885BRD4 764/4885

“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.