SCHEMBL25818024

SCHEMBL25818024

Cc1ccc2c(ccn2C[C@@H](C)N(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.37
HTR2A P28223 10/20 0.37
SLC2A1 P11166 1/20 0.35
POLB P06746 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 1/20 0.32
ESR1 P03372 1/20 0.32
PRNP P04156 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL25818055 0.81 HTR2C (0.56) HTR2CHTR2ACYP1A2HTR2B
SCHEMBL24110226 0.81 HTR2C (0.39) HTR2CHTR2ASLC2A1CYP2D6ALDH1A1
SCHEMBL25296034 0.81 HTR2C (0.39) HTR2CHTR2ASLC2A1CYP2D6ALDH1A1
SCHEMBL25818074 0.79 HTR2C (0.37) HTR2CHTR2ASLC2A1LMNACYP1A2
SCHEMBL17463068 0.75 CYP1A2 (0.36) POLBCYP2D6ALDH1A1LMNACYP1A2
SCHEMBL22860197 0.75 HTR2C (0.53) HTR2CHTR2APOLBHTR6
SCHEMBL25421564 0.74 PKM (0.37) CYP2D6CYP1A2HTR1AKCNH2AGER
SCHEMBL30488401 0.74 PKM (0.37) CYP2D6CYP1A2HTR1AKCNH2AGER
SCHEMBL25520687 0.74 HTR2C (0.68) HTR2CHTR2ACYP1A2HTR2BMAPT
SCHEMBL25818032 0.74 HTR2C (0.41) HTR2CHTR2APOLBCHRNB2CHRNA4

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 HTR2C 35/4885HTR2A 10/4885SLC2A1 2925/4885

“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.