SCHEMBL20955697

SCHEMBL20955697

O=C1Nc2cc(Cl)ccc2C12CCNCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
BACE1 P56817 1/20 0.50
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
PGR P06401 4/20 0.48
PDE7A Q13946 1/20 0.47
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
AKR1B1 P15121 1/20 0.40
NR3C2 P08235 3/20 0.40
IP6K1 Q92551 3/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.39
GHSR Q92847 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
SCHEMBL26666490 0.90 PGR (0.56) PKMTNKSTNKS2PGRPDE7A
SCHEMBL4952486 0.87 PGR (0.58) PKMBACE1PGRPDE7AIP6K1
SCHEMBL11641780 0.87 PGR (0.58) PKMTNKSTNKS2PGRPDE7A
SCHEMBL30701438 0.87 PGR (0.58) PKMTNKSTNKS2PGRPDE7A
SCHEMBL30701457 0.87 PGR (0.58) PKMTNKSTNKS2PGRPDE7A
Hydrochloric Acid SCHEMBL25355728 0.86 PGR (0.57) PKMBACE1PGRPDE7AIP6K1
SCHEMBL4715820 0.85 PGR (0.59) PKMTNKSTNKS2PGRPDE7A
SCHEMBL8220948 0.84 TNKS (0.51) PKMTNKSTNKS2PGRPDE7A
SCHEMBL21626819 0.82 BACE1 (0.51) BACE1AKR1B1NR3C2
SCHEMBL20955239 0.81 NR3C2 (0.52) PKMBACE1TNKSTNKS2PGR

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 4 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
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
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 PKM 4054/4885BACE1 3420/4885TNKS 3604/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 PKM 4124/4885BACE1 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.