SCHEMBL855166

SCHEMBL855166

Cn1c(CCN)nc2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.77
SMN1; SMN2 Q16637 5/20 0.69
NPC1 O15118 4/20 0.69
RAB9A P51151 4/20 0.69
GAA P10253 1/20 0.69
HDAC6 Q9UBN7 1/20 0.62
PDE10A Q9Y233 2/20 0.60
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
CYP2D6 P10635 1/20 0.53
TSHR P16473 1/20 0.52
USP2 O75604 1/20 0.51

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
Hydrochloric Acid SCHEMBL14736626 0.98 MAPT (0.74) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL5114083 0.90 MAPT (0.88) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL8088128 0.88 MAPT (0.97) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL230079 0.87 MAPT (1.00) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL14050118 0.85 MAPT (0.76) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2929122 0.85 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL5008245 0.84 MAPT (0.64) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL3640134 0.84 LMNA (0.64) MAPTSMN1; SMN2NPC1RAB9AGAA
Hydrochloric Acid SCHEMBL5206474 0.84 MAPT (0.64) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL29858847 0.82 NPC1 (1.00) MAPTSMN1; SMN2NPC1RAB9AGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-08-25 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-9243001-B2 Substituted benzene compounds Epizyme, Inc. (US) 2016-01-26 US disclosed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 EP disclosed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 WO disclosed
US-20140315945-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-10-23 US disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
US-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF SCHERING CORPORATION 2012-02-02 US disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 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 (6 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 MAPT 4373/4885SMN1; SMN2 3806/4885NPC1 3287/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 MAPT 4438/4885SMN1; SMN2 2439/4885NPC1 841/4885
US-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A MAPT 1196/4885SMN1; SMN2 1133/4885NPC1 2474/4885
US-20120028975-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND ANALOGS THEREOF PDE2A, PDE5A, PDE4A MAPT 3107/4885SMN1; SMN2 1754/4885NPC1 3163/4885
US-20140315945-A1 Substituted Benzene Compounds VHL, AHR, TP53 MAPT 3772/4885SMN1; SMN2 3878/4885NPC1 1399/4885
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS VHL, AHR, TP53 MAPT 3772/4885SMN1; SMN2 3878/4885NPC1 1399/4885

“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.