SCHEMBL17504334

SCHEMBL17504334

C[C@@H](CO)Cn1ncc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 9/20 0.50
CHRM1 P11229 9/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
RECQL P46063 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM3 P20309 1/20 0.49
KMO O15229 2/20 0.49
CYP1A2 P05177 1/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR2B P41595 2/20 0.46
HTR1D P28221 1/20 0.46
HTR7 P34969 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL16122395 1.00 CHRM2 (0.50) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL17504336 1.00 CHRM2 (0.50) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL17504270 0.85 RECQL (0.56) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL16122654 0.85 RECQL (0.56) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL16122396 0.84 CHRM2 (0.50) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL17504280 0.84 CHRM2 (0.50) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL6280461 0.83 RECQL (0.53) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL8888398 0.83 RECQL (0.56) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL30259947 0.83 RECQL (0.56) CHRM2CHRM1NPC1RAB9ARECQL
SCHEMBL7141152 0.82 RECQL (0.51) CHRM2CHRM1NPC1RAB9ARECQL

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-9670209-B2 Muscarinic agonists ACADIA PHARMACEUTICALS INC. (US) 2017-06-06 US disclosed
US-20160039819-A1 MUSCARINIC AGONISTS ALLERGAN, INC. 2016-02-11 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-20160039819-A1 MUSCARINIC AGONISTS CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885NPC1 1055/4885

“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.