SCHEMBL24109986

SCHEMBL24109986

COc1cc2ccn(C[C@@H](C)N(C)C)c2cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.43
MAPT P10636 1/20 0.42
HTR2A P28223 11/20 0.39
HCRTR2 O43614 2/20 0.35
ACSS2 Q9NR19 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL30404612 1.00 HTR2C (0.43) HTR2CMAPTHTR2AHCRTR2ACSS2
SCHEMBL25296144 1.00 HTR2C (0.43) HTR2CMAPTHTR2AHCRTR2ACSS2
SCHEMBL25297212 0.84 HTR2C (0.62) HTR2CMAPTHTR2ACYP1A2CYP3A4
SCHEMBL24110208 0.84 HTR2C (0.62) HTR2CMAPTHTR2ACYP1A2CYP3A4
SCHEMBL30404414 0.83 HTR2C (0.44) HTR2CMAPTHTR2AHCRTR2CYP1A2
SCHEMBL25301683 0.83 HTR2C (0.44) HTR2CMAPTHTR2AHCRTR2CYP1A2
SCHEMBL24110216 0.83 HTR2C (0.44) HTR2CMAPTHTR2AHCRTR2CYP1A2
SCHEMBL25818032 0.82 HTR2C (0.41) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24109810 0.78 HTR2C (0.57) HTR2CMAPTHTR2AHCRTR2
SCHEMBL29904420 0.78 HTR2C (0.57) HTR2CMAPTHTR2AHCRTR2

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 4 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
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 HTR2C 35/4885MAPT 254/4885HTR2A 10/4885

“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.