SCHEMBL24110201

SCHEMBL24110201

Cc1cccc2ccn(CC3(N(C)C)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
P2RX7 Q99572 1/20 0.41
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
THRB P10828 1/20 0.30
CXCR3 P49682 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL24110269 0.84 FABP4 (0.34) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24109941 0.82 KRAS (0.33) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24109770 0.82 ADRA2A (0.32) ADRA2AADRA2BADRA2C
SCHEMBL24110196 0.81 FABP4 (0.38) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24110266 0.79 ADRA2A (0.30) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24109777 0.79 HTR2A (0.33) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL24109764 0.77 HTR2A (0.32) HTR2AHTR2C
SCHEMBL24110288 0.77 HTR2A (0.33) HTR2AHTR2C
SCHEMBL24110430 0.76 HTR2A (0.54) HTR2AHTR2C
SCHEMBL24110322 0.76 HTR2C (0.50) P2RX7HTR2AHTR2CTHRB

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 ADRA2A 291/4885ADRA2B 659/4885ADRA2C 360/4885

“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.