SCHEMBL3390646

SCHEMBL3390646

COc1ccc(Cn2c(Cl)c3c(=O)n(C)c(=O)n(CC(C)C)c3c2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
PDE1A P54750 4/20 0.40
PDE1B Q01064 4/20 0.40
PDE1C Q14123 4/20 0.40
PDE2A O00408 2/20 0.40
PCSK9 Q8NBP7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL17644502 0.88 MAPT (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7508117 0.84 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3391546 0.82 PDE1A (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2456336 0.79 MAPT (0.45) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2453873 0.78 PDE1A (0.48) MAPTALDH1A1POLBLMNAPDE1A
SCHEMBL3395475 0.71 SLC16A1 (0.59) MAPTMEN1KMT2APDE1APDE1B
SCHEMBL7000713 0.70 MAPT (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13789713 0.69 PDE5A (0.70) MAPTALDH1A1NPSR1PCSK9TSHR
SCHEMBL4769603 0.69 DCTPP1 (0.46) MAPTALDH1A1MEN1KMT2AADORA3
SCHEMBL13789714 0.68 PDE5A (0.70) MAPTALDH1A1NPSR1PCSK9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371327-B2 PDE1 inhibitor compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-06-21 US disclosed
EP-2367428-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-04-06 EP disclosed
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-20130324565-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-05 US disclosed
EP-2590657-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-05-15 EP disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
WO-2011153135-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 WO disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 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 (3 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-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 MAPT 888/4885ALDH1A1 214/4885MEN1 2973/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 MAPT 966/4885ALDH1A1 216/4885MEN1 2990/4885
US-20130324565-A1 ORGANIC COMPOUNDS UGT2B7, CYP2C9, CYP4B1 MAPT 1897/4885ALDH1A1 326/4885MEN1 3635/4885

“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.