SCHEMBL136192

SCHEMBL136192

Cc1cccc(C#CC2=NOC3(CCN(C(=O)O)C3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.40
CYP1A2 P05177 8/20 0.40
CYP3A4 P08684 5/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRM1 Q13255 1/20 0.38

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
SCHEMBL326350 0.86 GRM5 (0.54) GRM5CYP1A2CYP3A4
SCHEMBL136091 0.81 GRM5 (0.39) GRM5MEN1KMT2A
SCHEMBL138482 0.80
SCHEMBL135469 0.78 FFAR1 (0.36) GRM5KMT2AFFAR1
SCHEMBL136537 0.77 GRM5 (0.41) GRM5CYP1A2CYP3A4
SCHEMBL136710 0.76 GRM5 (0.42) GRM5CYP1A2CYP3A4NPC1RAB9A
SCHEMBL136225 0.75 GRM5 (0.41) GRM5CYP1A2CYP3A4NPC1RAB9A
SCHEMBL139720 0.75 GRM5 (0.50) GRM5CYP1A2CYP3A4NPC1RAB9A
SCHEMBL136227 0.73 GRM5 (0.42) GRM5CYP1A2CYP3A4NPC1RAB9A
SCHEMBL140178 0.73 GRM5 (0.40) GRM5CYP1A2CYP3A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580962-B2 Spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD. (IT) 2013-11-12 US disclosed
US-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD. (IT) 2012-03-08 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 (1 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-20120059015-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GPR65, GRIK5 GRM5 1/4885CYP1A2 3174/4885CYP3A4 3928/4885

“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.