SCHEMBL14915784

SCHEMBL14915784

COCCOc1cc(C)ccc1CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 10/20 0.45
MAPT P10636 9/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40

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
SCHEMBL15831996 0.83 MAPT (0.44) L3MBTL1MAPTHPGDALDH1A1CYP2C9
SCHEMBL25517581 0.81 L3MBTL1 (0.44) L3MBTL1MAPTHPGDALDH1A1CYP2C9
SCHEMBL1308077 0.81 HTR2C (0.50) L3MBTL1MAPTALDH1A1POLBMAPK1
SCHEMBL16441718 0.81 FBP1 (0.40) HPGDKMT2AKDM4ERAB9ANPC1
SCHEMBL12781859 0.80 L3MBTL1 (0.61) L3MBTL1MAPTHPGDALDH1A1CYP2C9
SCHEMBL95794 0.80 ACHE (0.56) L3MBTL1MAPTHPGDALDH1A1CYP2C9
SCHEMBL11956988 0.79 L3MBTL1 (0.47) L3MBTL1MAPTHPGDALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL31157559 0.78 ACHE (0.54) L3MBTL1MAPTHPGDALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL2064312 0.78 ACHE (0.54) L3MBTL1MAPTHPGDALDH1A1CYP2C9
SCHEMBL13475556 0.78 TSHR (0.59) L3MBTL1MAPTHPGDALDH1A1CYP2C9

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-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US disclosed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP disclosed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 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-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B L3MBTL1 2120/4885MAPT 4811/4885HPGD 1580/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B L3MBTL1 2259/4885MAPT 4849/4885HPGD 1537/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A L3MBTL1 3140/4885MAPT 2409/4885HPGD 289/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B L3MBTL1 2127/4885MAPT 4808/4885HPGD 1606/4885

“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.