SCHEMBL3074451

SCHEMBL3074451

COCCCN1C(=O)C(C)(C)c2ccc(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
REN P00797 3/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL12354327 0.96 KMT2A (0.39) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL13434145 0.89 REN (0.40) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL13434131 0.84 TSHR (0.36) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL3069018 0.84 TDP1 (0.36) KMT2AALDH1A1MEN1RENTDP1
SCHEMBL507840 0.83 CYP1A2 (0.49) KMT2AALDH1A1MEN1MAPTTSHR
SCHEMBL2245660 0.83 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTREN
SCHEMBL13434000 0.82 TSHR (0.41) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL2242021 0.81 CPT1A (0.48) KMT2AALDH1A1MEN1TSHRLMNA
SCHEMBL13434025 0.80 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTL3MBTL1
SCHEMBL13434024 0.80 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTPOLB

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885ALDH1A1 142/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885ALDH1A1 142/4885MEN1 2817/4885

“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.