SCHEMBL1678428

SCHEMBL1678428

CN(C)c1cccc(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.62
HTR7 P34969 6/20 0.57
HTR1A P08908 5/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3A P46098 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
HTR2C P28335 3/20 0.57
THRB P10828 2/20 0.57
HTR6 P50406 2/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HTR2A P28223 1/20 0.57
SLC6A4 P31645 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL1111661 1.00 ADRB1 (0.62) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL30609613 0.98 ADRB1 (0.60) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL6265761 0.85 HTR7 (0.59) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL21965857 0.84 ADRB1 (0.55) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL6239706 0.84 FFAR4 (0.49) ADRB1HTR7HTR1AHTR2CHTR6
SCHEMBL27613691 0.82 PRMT6 (0.50) HTR7HTR1AHTR2CHTR6HTR2A
SCHEMBL1111778 0.82 PHGDH (0.48) ADRB1HTR7HTR1AHTR3EHTR3B
Hydrochloric Acid SCHEMBL27858925 0.81 PRMT6 (0.49) THRBTP53HTTDDB1CRBN
SCHEMBL14303298 0.80 HTR3A (0.63) ADRB1HTR7HTR1AHTR3EHTR3B
SCHEMBL23411314 0.79 CYP2D6 (0.54) ADRB1HTR7HTR1AHTR3EHTR3B

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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 ADRB1 4707/4885HTR7 2134/4885HTR1A 3852/4885

“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.