SCHEMBL19204049

SCHEMBL19204049

CCCCCCCC(CCC)N1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 1/20 0.40
CDK4 P11802 1/20 0.40
ALOX15 P16050 1/20 0.40
CCND1 P24385 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL21210814 0.97 SLC6A2 (0.43) CRHR1SLC6A2SLC6A4ALDH1A1MEN1
SCHEMBL24897458 0.94 CRHR1 (0.43) CRHR1SLC6A2SLC6A4ALDH1A1MEN1
Acetic Acid SCHEMBL11348838 0.89 NOTUM (0.46) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL24721182 0.86 AVPR2 (0.45) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL24721271 0.86 AVPR2 (0.45) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL25061884 0.86 AVPR2 (0.45) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL24721145 0.86 AVPR2 (0.45) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL24721105 0.86 AVPR2 (0.45) ALDH1A1MEN1KMT2ACYP2D6CYP1A2
SCHEMBL23717802 0.85 SLC6A2 (0.43) SLC6A2SLC6A4ALDH1A1MEN1KMT2A
SCHEMBL21902388 0.84 SLC6A2 (0.45) CRHR1SLC6A2SLC6A4ALDH1A1MEN1

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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CRHR1 805/4885SLC6A2 144/4885SLC6A4 105/4885

“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.