SCHEMBL19625795

SCHEMBL19625795

CN1CC[C@@]2(c3ccccc3)CC[C@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.58
SLC6A4 P31645 4/20 0.58
SLC6A3 Q01959 4/20 0.58
OPRM1 P35372 5/20 0.48
OPRD1 P41143 5/20 0.48
OPRK1 P41145 4/20 0.48
DRD4 P21917 1/20 0.47
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 4/20 0.43
MRGPRX2 Q96LB1 3/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 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
SCHEMBL11246658 0.90 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11246645 0.90 SLC6A4 (0.68) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
Bromide SCHEMBL11266393 0.89 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185245 0.89 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11535102 0.89 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
Bromide SCHEMBL11252035 0.89 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185241 0.89 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL11185531 0.89 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL3207570 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL10994891 0.84 SLC6A4 (0.79) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 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-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C SLC6A2 215/4885SLC6A4 198/4885SLC6A3 152/4885

“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.