SCHEMBL22777906

SCHEMBL22777906

O=C(CNc1ccccc1)Nc1ccc(N2CCCCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.53
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
DGAT1 O75907 3/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
WNT3A P56704 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45

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
SCHEMBL22777877 0.86 RECQL (0.51) TRPV1KCNQ3KCNQ2DGAT1WNT3A
SCHEMBL22777899 0.80 KDM4E (0.60) TRPV1KCNQ3KCNQ2RAB9ANPC1
SCHEMBL22777836 0.80 KDM4E (0.64) TRPV1KCNQ3KCNQ2DGAT1NPSR1
SCHEMBL22777838 0.80 KDM4E (0.64) TRPV1KCNQ3KCNQ2DGAT1NPSR1
SCHEMBL4969527 0.79 KCNQ3 (0.60) TRPV1KCNQ3KCNQ2DGAT1RAB9A
SCHEMBL1593432 0.77 KMT2A (0.64) TRPV1KCNQ3KCNQ2DGAT1RAB9A
SCHEMBL896355 0.77 GAA (0.52) TRPV1KCNQ3KCNQ2DGAT1RAB9A
SCHEMBL29739388 0.77 GAA (0.52) TRPV1KCNQ3KCNQ2DGAT1RAB9A
SCHEMBL24645772 0.76 MAPT (0.67) TRPV1KCNQ3KCNQ2RAB9ASMN1; SMN2
SCHEMBL27961413 0.76 KCNQ3 (0.56) TRPV1KCNQ3KCNQ2RAB9ANPC1

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 3 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
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 TRPV1 264/4885KCNQ3 22/4885KCNQ2 25/4885

“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.