SCHEMBL30139643

SCHEMBL30139643

Clc1ccc2c(c1Cl)CCNC2

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.75
HTR2C P28335 9/20 0.75
HTR2B P41595 9/20 0.75
PNMT P11086 8/20 0.72
ADRA2A P08913 1/20 0.72
ADRA2B P18089 1/20 0.72
ADRA2C P18825 1/20 0.72
NOTUM Q6P988 1/20 0.50
CD44 P16070 1/20 0.47

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
SCHEMBL6187756 1.00 HTR2A (0.75) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL11359434 0.98 PNMT (0.73) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL7885461 0.86 HTR2A (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL1772370 0.84 PNMT (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL11211829 0.82 PNMT (1.00) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL6222916 0.81 PNMT (0.68) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL22993478 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL31173285 0.81 HTR2C (0.77) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL30260143 0.81 HTR2C (0.77) HTR2AHTR2CHTR2BPNMTADRA2A
SCHEMBL23022301 0.81 PNMT (0.53) HTR2AHTR2CHTR2BPNMTADRA2A

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-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 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-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 HTR2A 1122/4885HTR2C 1719/4885HTR2B 1418/4885

“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.