SCHEMBL24110372

SCHEMBL24110372

CN(C)CC(=O)n1ccc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.39
PIM1 P11309 1/20 0.38
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CACNA1H O95180 1/20 0.37
OXER1 Q8TDS5 2/20 0.37
PLA2G10 O15496 4/20 0.36
PLA2G2A P14555 4/20 0.36
PLA2G5 P39877 4/20 0.36
CYP2D6 P10635 1/20 0.36
MCHR1 Q99705 1/20 0.36
ELANE P08246 1/20 0.36
KCNQ3 O43525 1/20 0.36

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
SCHEMBL24109916 0.84 TUBB1 (0.54) TUBB1KDM4ESLC6A2MAOAMAOB
SCHEMBL2651525 0.80 PIM1 (0.47) TUBB1PIM1CHRNA7KDM4EGAA
SCHEMBL16619909 0.80 ELANE (0.49) TUBB1PIM1CHRNA7KDM4EGAA
SCHEMBL24110384 0.79 KCNQ3 (0.39) TUBB1PIM1CHRNA7TRPV1PLA2G10
SCHEMBL24110374 0.79 KCNQ3 (0.39) TUBB1PIM1CHRNA7TRPV1PLA2G10
SCHEMBL24110339 0.79 KCNQ3 (0.39) TUBB1PIM1CHRNA7TRPV1PLA2G10
SCHEMBL24110331 0.79 TFPI2 (0.44) KDM4ESLC6A2SLC6A4OXER1
SCHEMBL2720556 0.77 KCNQ3 (0.47) TUBB1PIM1CHRNA7KDM4EGAA
SCHEMBL24110386 0.76 MAOA (0.39) TUBB1PIM1CHRNA7TRPV1MAOA
SCHEMBL24110343 0.76 MAOA (0.39) TUBB1PIM1CHRNA7TRPV1MAOA

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT TUBB1 216/4885PIM1 4348/4885CHRNA7 50/4885

“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.