SCHEMBL22777908

SCHEMBL22777908

CC(C(=O)Nc1ccc(N2CCCCCC2)cc1)N1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.73
ALDH1A1 P00352 6/20 0.73
NPSR1 Q6W5P4 3/20 0.73
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
GFER P55789 1/20 0.63
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 3/20 0.60
GAA P10253 3/20 0.60
MEN1 O00255 1/20 0.60
HTT P42858 1/20 0.58
USP2 O75604 2/20 0.58
ESR1 P03372 1/20 0.58
NR4A1 P22736 1/20 0.58
PTK2B Q14289 1/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 2/20 0.56

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
SCHEMBL30555364 0.84 MAPT (1.00) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL22777990 0.84 MAPT (0.75) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8207310 0.84 NPC1 (0.60) MAPTALDH1A1NPSR1CYP1A2CYP2C19
SCHEMBL5970133 0.83 MAPT (0.66) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL3012625 0.83 ALDH1A1 (0.66) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL3588245 0.82 ATM (0.56) MAPTALDH1A1NPSR1KMT2AKDM4E
SCHEMBL21834187 0.79 ATM (0.54) MAPTALDH1A1NPSR1KMT2AMEN1
SCHEMBL6689700 0.78 GFER (1.00) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL28139220 0.77 MAPT (0.69) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL975489 0.76 MAPT (1.00) MAPTALDH1A1NPSR1CYP1A2CYP3A4

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-20220356176-A1 Kv11.1-3.1 INHIBITING METHODS AND COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 US disclosed
US-20220356176-A1 Kv11.1-3.1 INHIBITING METHODS AND COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 US disclosed
WO-2020252130-A1 KV11.1-3.1 INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE, INC. (US) 2020-12-17 WO disclosed
WO-2020252130-A1 KV11.1-3.1 INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE, INC. (US) 2020-12-17 WO 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-20220356176-A1 Kv11.1-3.1 INHIBITING METHODS AND COMPOSITIONS KCNAB1, KCNMA1, KCNA1 MAPT 2623/4885ALDH1A1 1489/4885NPSR1 678/4885

“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.