SCHEMBL6100511

SCHEMBL6100511

CSc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM4 Q14833 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
GRM5 P41594 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
HPGD P15428 1/20 0.33
ANO1 Q5XXA6 5/20 0.33

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
SCHEMBL6099488 0.82 HTR4 (0.41) GRM5
SCHEMBL7117129 0.81 CHRNA7 (0.37) SLC6A2SLC6A4SLC6A3GRM5TAS1R3
SCHEMBL6099485 0.80 NPC1 (0.39) SMN1; SMN2NPC1RAB9AGRM4SMYD3
SCHEMBL6099309 0.80 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AGRM4SMYD3
SCHEMBL6101770 0.78 GRM5 (0.59) SMN1; SMN2NPC1RAB9ASMYD3GRM5
SCHEMBL7123867 0.78 CHRNA7 (0.38) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL7124881 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SMN1; SMN2SMYD3
SCHEMBL7122575 0.75 TAS1R3 (0.43) GRM5TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL7126739 0.75 EGLN1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7120325 0.75 GRM5 (0.39) SLC6A2SLC6A4SLC6A3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP claimed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 SLC6A2 1361/4885SLC6A4 2113/4885SLC6A3 1166/4885

“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.