SCHEMBL6099485

SCHEMBL6099485

CSc1ccnc(C(=O)NC2CC3CC2CN3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
GRM4 Q14833 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMYD3 Q9H7B4 1/20 0.36
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 3/20 0.34
CTSA P10619 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ANO1 Q5XXA6 3/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL6098618 0.82 GRM5 (0.40) NPC1RAB9AGRM4SMYD3GRM5
SCHEMBL6099309 0.80 SMN1; SMN2 (0.36) NPC1RAB9AGRM4SMN1; SMN2SMYD3
SCHEMBL6100511 0.80 SLC6A2 (0.42) NPC1RAB9AGRM4SMN1; SMN2SMYD3
SCHEMBL6098568 0.79 GRM5 (0.53) RAB9ASMN1; SMN2SMYD3HSD17B10GRM5
SCHEMBL843832 0.75 CHRNA7 (0.36) HSD17B10
SCHEMBL843682 0.74 HDAC6 (0.42) SMYD3
SCHEMBL6310401 0.74 CHRNA7 (0.38) ALDH1A1
SCHEMBL6099412 0.74 CHRNA7 (0.57)
SCHEMBL6417938 0.74 CHRNA7 (0.54) HSD17B10IRAK4
SCHEMBL844036 0.74 CHRNA7 (0.36) SMYD3

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
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 NPC1 484/4885RAB9A 1284/4885GRM4 3677/4885

“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.