SCHEMBL25818631

SCHEMBL25818631

CCN(CC)[C@@H](C)C(=O)n1ccc2cc(OC)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.50
HTR2C P28335 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
TFPI2 P48307 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PTGS2 P35354 3/20 0.41
TSHR P16473 3/20 0.41
PTGS1 P23219 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
CYP1A2 P05177 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
FABP4 P15090 1/20 0.41
BCHE P06276 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL24109803 1.00 TUBB1 (0.50) TUBB1HTR2CMTNR1AMTNR1BTFPI2
SCHEMBL24109938 1.00 TUBB1 (0.50) TUBB1HTR2CMTNR1AMTNR1BTFPI2
SCHEMBL24110340 0.86 MAOA (0.39) TUBB1TFPI2MAOAMAOBTSHR
SCHEMBL24110343 0.86 MAOA (0.39) TUBB1TFPI2MAOAMAOBTSHR
SCHEMBL24110386 0.86 MAOA (0.39) TUBB1TFPI2MAOAMAOBTSHR
SCHEMBL24109796 0.86 TUBB1 (0.53) TUBB1HTR2CMTNR1AMTNR1BTFPI2
SCHEMBL24109903 0.86 TUBB1 (0.53) TUBB1HTR2CMTNR1AMTNR1BTFPI2
SCHEMBL24109797 0.86 TUBB1 (0.53) TUBB1HTR2CMTNR1AMTNR1BTFPI2
SCHEMBL24110338 0.82 HTR2A (0.44) HTR2CTFPI2TSHRFABP4BCHE
SCHEMBL24109802 0.82 HTR2A (0.44) HTR2CTFPI2TSHRFABP4BCHE

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 1 patent. 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

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 216/4885HTR2C 35/4885MTNR1A 191/4885

“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.