SCHEMBL15735320

SCHEMBL15735320

Cc1cccc(C#Cc2ccc(-c3c(Br)cnn3C)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
KMT2A Q03164 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRM1 Q13255 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
SCHEMBL15733793 0.82 GRM5 (0.59) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30123501 0.82 GRM5 (0.59) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15733106 0.75 PDE10A (0.71) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15733249 0.75 PDE10A (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23087698 0.71 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24494372 0.71 GRM5 (0.76) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15734051 0.71 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3562130 0.70 HTR2A (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL103061 0.70 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29355216 0.70 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-02-01 US disclosed
US-9790203-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2017-10-17 US disclosed
EP-2922842-B1 INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC (US) 2017-06-14 EP disclosed
EP-2922842-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Inc. (US) 2015-09-30 EP disclosed
WO-2014079995-A2 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2014-05-30 WO disclosed
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2014-05-29 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 (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-20180030033-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A GRM5 2399/4885NPC1 2521/4885RAB9A 659/4885
US-20140148461-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE1A, PDE1B, PDE3A GRM5 2464/4885NPC1 2513/4885RAB9A 658/4885

“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.