SCHEMBL9305345

SCHEMBL9305345

CC(C)N1CCC(c2cccs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
BRD4 O60885 4/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
CACNA2D1 P54289 1/20 0.38
KDM1A O60341 1/20 0.38
BRDT Q58F21 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10079150 0.79 SLC6A2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL497608 0.76
SCHEMBL14163064 0.75 HTT (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
Methylamine SCHEMBL28610020 0.74 MAPT (0.46) MAPTSMN1; SMN2BRD4KDM4ETSHR
Hydrochloric Acid SCHEMBL11286601 0.74
SCHEMBL31682629 0.73 MAPT (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8404656 0.72 TSHR (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14590485 0.72 BRD4 (0.71) MAPTSMN1; SMN2BRD4KDM4EGAA
SCHEMBL8133890 0.72
SCHEMBL498606 0.72 MAPT (0.47) MAPTSMN1; SMN2BRD4KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148404-B2 Modulators of CB1 receptors 7TM PHARMA A/S (DK) 2012-04-03 US disclosed
US-20100144701-A1 Modulators of CB1 Receptors 7TM PHARMA A/S (DK) 2010-06-10 US disclosed
US-5317025-A Piperidinylthioindole derivatives, their methods of preparation and pharmaceutical compositions in which they are present, useful especially as analgesics LABORATOIRES USPA (FR) 1994-05-31 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-20100144701-A1 Modulators of CB1 Receptors CNR1, CNR2, GPR6 CHRM2 131/4885CHRM4 126/4885CHRM5 269/4885

“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.