SCHEMBL9035696

SCHEMBL9035696

O=C(CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.59
ALDH1A1 P00352 3/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
KCNH2 Q12809 2/20 0.52
ABCB11 O95342 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
HTR1A P08908 1/20 0.52
CHRM5 P08912 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
TSHR P16473 1/20 0.52

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
Hydrochloric Acid SCHEMBL9035324 0.99 SETD7 (0.58) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
SCHEMBL9035086 0.90 SETD7 (0.54) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL7218948 0.89 SETD7 (0.53) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
SCHEMBL9718770 0.87 SETD7 (0.64) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
SCHEMBL9035949 0.87 SETD7 (0.57) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL9718790 0.86 SETD7 (0.62) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL7218913 0.86 KMT2A (0.57) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL9034034 0.84 SETD7 (0.59) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL7211736 0.83 SETD7 (0.61) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6
SCHEMBL7299134 0.81 SETD7 (0.51) SETD7ALDH1A1SLC6A4SLC6A3CYP2D6

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed
US-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS BAYLOR UNIVERSITY (US) 2012-01-19 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-20120016124-A1 SEROTONIN REUPTAKE INHIBITORS HTR2A, HTR2C, HTR1A SETD7 3067/4885ALDH1A1 969/4885SLC6A4 8/4885

“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.