SCHEMBL18034945

SCHEMBL18034945

COc1ccc2c3c([nH]c2c1)CN(C)CC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.62
CYP1A2 P05177 5/20 0.62
HSD17B10 Q99714 4/20 0.62
CYP2C9 P11712 2/20 0.62
ALOX15 P16050 2/20 0.62
USP2 O75604 1/20 0.62
KDM4E B2RXH2 5/20 0.61
DRD2 P14416 3/20 0.59
DRD1 P21728 3/20 0.59
DRD5 P21918 3/20 0.59
DRD3 P35462 3/20 0.59
HTR7 P34969 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
NISCH Q9Y2I1 1/20 0.59
MEN1 O00255 3/20 0.50
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL29564708 0.90 CYP2D6 (0.64) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL25192385 0.90 CYP2D6 (0.64) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL12083125 0.89 CYP1A2 (0.78) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL31033047 0.87 CYP2D6 (0.59) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL16624099 0.85 HTR7 (0.58) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL25183522 0.84 HTR7 (0.56) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL17993840 0.83 HTR7 (0.55) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL18034956 0.81 KDM4E (0.66) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
SCHEMBL25192202 0.81 CYP2D6 (0.53) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15
Fumaric Acid SCHEMBL25201865 0.80 HTR7 (0.53) CYP2D6CYP1A2HSD17B10CYP2C9ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025006077-A2 ANXIOLYTIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING ANXIETY AND OTHER DISORDERS MIRALOGX LLC (US) 2025-01-02 WO claimed
US-20240309009-A1 Anxiolytic Compounds, Pharmaceutical Compositions, and Methods of Treating Anxiety and Other Disorders MIRALOGX LLC 2024-09-19 US claimed
WO-2025006077-A2 ANXIOLYTIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING ANXIETY AND OTHER DISORDERS MIRALOGX LLC (US) 2025-01-02 WO disclosed
US-20240309009-A1 Anxiolytic Compounds, Pharmaceutical Compositions, and Methods of Treating Anxiety and Other Disorders MIRALOGX LLC 2024-09-19 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 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 (2 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-20240309009-A1 Anxiolytic Compounds, Pharmaceutical Compositions, and Methods of Treating Anxiety and Other Disorders OPRD1, OPRK1, OPRM1 CYP2D6 861/4885CYP1A2 758/4885HSD17B10 506/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H CYP2D6 821/4885CYP1A2 1560/4885HSD17B10 1249/4885

“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.