SCHEMBL20955239

SCHEMBL20955239

O=C1Nc2cc(F)ccc2C12CCNCC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.52
BACE1 P56817 1/20 0.50
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PGR P06401 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.39
PKM P14618 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
MAPK14 Q16539 1/20 0.36

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
SCHEMBL16858420 0.90 TNKS (0.51) NR3C2BACE1TNKSTNKS2CYP1A2
SCHEMBL29860095 0.90 TNKS (0.51) NR3C2BACE1TNKSTNKS2CYP1A2
SCHEMBL1950989 0.87 CYP1A2 (0.53) NR3C2BACE1CYP1A2MAPTCYP2C19
SCHEMBL29622048 0.87 TNKS (0.52) NR3C2TNKSTNKS2CYP1A2MAPT
SCHEMBL29610797 0.87 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL19838281 0.87 TNKS (0.52) NR3C2TNKSTNKS2CYP1A2MAPT
SCHEMBL1971453 0.87 TNKS (0.52) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL4719167 0.85 TNKS (0.51) TNKSTNKS2CYP1A2MAPTCYP2C19
SCHEMBL23778308 0.84 TNKS (0.50) NR3C2TNKSTNKS2CYP1A2MAPT
SCHEMBL21626819 0.82 BACE1 (0.51) NR3C2BACE1CYP1A2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP 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 (2 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 NR3C2 420/4885BACE1 3420/4885TNKS 3604/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 NR3C2 487/4885BACE1 3511/4885TNKS 3690/4885

“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.