SCHEMBL25818032

SCHEMBL25818032

Cc1cc2ccn(C[C@@H](C)N(C)C)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.41
HTR2A P28223 12/20 0.41
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTR2B P41595 1/20 0.35
HPGD P15428 1/20 0.34
CYP2A6 P11509 1/20 0.34
POLB P06746 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PIK3CB P42338 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
SCHEMBL25818062 0.82 HTR2C (0.61) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL30404612 0.82 HTR2C (0.43) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24109986 0.82 HTR2C (0.43) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25296144 0.82 HTR2C (0.43) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25818070 0.81 HTR2C (0.42) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25520687 0.78 HTR2C (0.68) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL24110234 0.77 HTR2C (0.57) HTR2CHTR2A
SCHEMBL23927930 0.75 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL23927933 0.75 HTR2C (0.54) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL29780339 0.75 HTR2C (0.68) HTR2CHTR2ACYP1A2CYP3A4CYP2C9

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 10/4885CYP1A2 2412/4885

“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.