SCHEMBL20954874

SCHEMBL20954874

O=C1Nc2cccc(F)c2C12CCNCC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.51
▸ TNKS O95271 2/20 0.46
▸ TNKS2 Q9H2K2 2/20 0.46
▸ OPRM1 P35372 1/20 0.39
▸ HTR2C P28335 1/20 0.37
▸ PGR P06401 6/20 0.36
▸ NR3C2 P08235 4/20 0.34
▸ IKBKB O14920 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ SRD5A1 P18405 1/20 0.32

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
SCHEMBL3866633 0.90 TNKS (0.50) BACE1TNKSTNKS2PGRIKBKB
SCHEMBL31472193 0.90 TNKS (0.50) BACE1TNKSTNKS2PGRIKBKB
SCHEMBL15004855 0.86 TNKS (0.51) BACE1TNKSTNKS2OPRM1PGR
SCHEMBL24481758 0.86 TNKS (0.51) BACE1TNKSTNKS2PGR
SCHEMBL31472145 0.86 TNKS (0.51) BACE1TNKSTNKS2OPRM1PGR
SCHEMBL4719403 0.85 TNKS (0.50) BACE1TNKSTNKS2OPRM1PGR
SCHEMBL15650376 0.82 TNKS (0.46) BACE1TNKSTNKS2PGRHTR2A
SCHEMBL19235278 0.81 BACE1 (0.53) BACE1TNKSTNKS2OPRM1HTR2C
SCHEMBL20955106 0.80 BACE1 (0.51) BACE1TNKSTNKS2OPRM1PGR
SCHEMBL3257846 0.80 BACE1 (0.51) BACE1TNKSTNKS2OPRM1HTR2C

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 BACE1 3420/4885TNKS 3604/4885TNKS2 3815/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 BACE1 3511/4885TNKS 3690/4885TNKS2 3829/4885

“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.

Send feedback