SCHEMBL25171978

SCHEMBL25171978

C1=C(c2cccc3ccccc23)CNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.50
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR6 P50406 11/20 0.46
NISCH Q9Y2I1 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR7 P34969 1/20 0.41
MTOR P42345 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41
HTR3D Q70Z44 1/20 0.41

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
SCHEMBL14085318 0.82 NISCH (0.41) HTR2AHTR2CHTR6NISCHHTR3E
SCHEMBL9304715 0.76 NISCH (0.42) HTR2AHTR2CHTR2BHTR6NISCH
SCHEMBL11134482 0.76 HTR2A (0.53) HTR2AHTR2CHTR2BHTR6HSD17B10
SCHEMBL27201538 0.75 HTR2A (0.49) HTR2AHTR2CHTR2BHTR6
SCHEMBL8959970 0.75 HTR2A (0.59) HTR2AHTR2CHTR2BHTR6NISCH
Hydrochloric Acid SCHEMBL3691039 0.74 HTR6 (0.49) HTR2AHTR2CHTR2BHTR6NISCH
Hydrochloric Acid SCHEMBL2855289 0.74 HTR6 (0.49) HTR2AHTR2CHTR2BHTR6
SCHEMBL7166811 0.74 SLC6A3 (0.44) NISCHCYP1A2HTR1ATSHRNFKB1
SCHEMBL31295140 0.73 HTR2A (0.65) HTR2AHTR2CHTR2BHTR6HTR1A
SCHEMBL1681365 0.73 SLC6A3 (0.46) NISCHCYP1A2TSHRNFKB1HSD17B10

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-20250032476-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF UNIV CALIFORNIA (US) 2025-01-30 US disclosed
EP-4426287-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF The Regents of the University of California (US) 2024-09-11 EP disclosed
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 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-20250032476-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF ADRA2A, ADRB2, ADRA2C HTR2A 14/4885HTR2C 52/4885HTR2B 79/4885

“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.