SCHEMBL21154247

SCHEMBL21154247

Cn1c2c(c3cccc(F)c31)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
P2RX3 P56373 1/20 0.43
HDAC10 Q969S8 1/20 0.43
ESR2 Q92731 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
HPGDS O60760 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ADORA1 P30542 1/20 0.39
PDK4 Q16654 1/20 0.39
HTR5A P47898 2/20 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
SCHEMBL21588375 0.91 P2RX3 (0.45) HDAC1HDAC6DDB1CRBNP2RX3
SCHEMBL1841759 0.85 HDAC6 (0.48) HDAC1HDAC6DDB1CRBNHDAC10
SCHEMBL21114856 0.84 HDAC6 (0.60) HDAC1HDAC6DDB1CRBNHDAC10
SCHEMBL30506410 0.84 HDAC6 (0.60) HDAC1HDAC6DDB1CRBNHDAC10
SCHEMBL14067833 0.81 HDAC1 (0.49) HDAC1HDAC6DDB1CRBNLIPG
SCHEMBL28602904 0.81 HDAC1 (0.55) HDAC1HDAC6DDB1CRBNP2RX3
SCHEMBL4791363 0.80 HDAC1 (0.47) HDAC1HDAC6DDB1CRBNP2RX3
SCHEMBL3866765 0.80 HDAC1 (0.44) HDAC1HDAC6DDB1CRBNP2RX3
SCHEMBL4792022 0.79 ESR2 (0.41) HDAC1HDAC6DDB1CRBNP2RX3
SCHEMBL5108079 0.78 BAZ2B (0.53) HDAC1HDAC6HDAC10ESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2023-11-14 US disclosed
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2020-04-28 US disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed
US-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates AC IMMUNE SA (CH) 2019-07-11 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 (3 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-20190211012-A1 Novel compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, MAP1LC3B HDAC1 267/4885HDAC6 20/4885DDB1 1029/4885
US-10633383-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 HDAC1 199/4885HDAC6 18/4885DDB1 1137/4885
US-11814378-B2 Compounds for the treatment, alleviation or prevention of disorders associated with Tau aggregates MAPT, MAP1LC3A, TUBB3 HDAC1 199/4885HDAC6 18/4885DDB1 1137/4885

“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.