SCHEMBL3593085

SCHEMBL3593085

CN1CCN(CC[CH]c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.72
MC4R P32245 1/20 0.52
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 1/20 0.43
LTA4H P09960 1/20 0.43
KDM1A O60341 1/20 0.42
POLB P06746 1/20 0.42
CHKA P35790 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL28515723 0.85 SLC6A3 (0.52) SIGMAR1CHRM2CHRM1LTA4H
SCHEMBL8084554 0.84 SIGMAR1 (1.00) SIGMAR1MC4RNPSR1GAACHRM2
SCHEMBL28795567 0.84 SIGMAR1 (0.51) SIGMAR1MC4RNPSR1
SCHEMBL8084551 0.84 SIGMAR1 (1.00) SIGMAR1MC4RNPSR1GAACHRM2
SCHEMBL8091680 0.84 SIGMAR1 (1.00) SIGMAR1MC4RNPSR1GAACHRM2
SCHEMBL2196462 0.83 SIGMAR1 (0.59) SIGMAR1MC4RNPSR1GAACHRM2
SCHEMBL19713576 0.83 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL15961293 0.82 KCNH2 (0.61) SIGMAR1DRD2
SCHEMBL15961225 0.82 SIGMAR1 (0.62) SIGMAR1MC4RRAB9AGAAPOLB
SCHEMBL27674510 0.82 ALDH1A1 (0.50) SIGMAR1DRD2

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
CN-101516888-A Pyrazolo [1, 5-a] pyrimidine derivatives and their therapeutic use NOVARTIS AG (CH) 2009-08-26 CN 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN SIGMAR1 4220/4885MC4R 3945/4885RAB9A 2814/4885

“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.