SCHEMBL26078476

SCHEMBL26078476

Clc1cn(-c2cn[nH]c2)c2cc(CC3=NCCN3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HTR1D P28221 5/20 0.39
▸ HTR1B P28222 4/20 0.39
▸ ADRA1D P25100 3/20 0.38
▸ ADRA1A P35348 3/20 0.38
▸ ADRA1B P35368 3/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGIR P43119 1/20 0.35
▸ RAD52 P43351 1/20 0.35

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
SCHEMBL953553 0.69 TAAR1 (0.60) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL4986025 0.65 TAAR1 (0.56) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL2869241 0.64 HTR1D (0.69) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL7007927 0.62 HTR1D (0.57) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL4629679 0.62 TAAR1 (0.76) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL7015820 0.61 TAAR1 (0.50) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL4992378 0.61 ALDH1A1 (0.61) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL4986013 0.61 RAD52 (0.51) TAAR1CYP2D6NFKB1HTR1DHTR1B
SCHEMBL11442256 0.61 TAAR1 (0.60) TAAR1CYP2D6NFKB1HTR1DHTR1B
Nemazoline SCHEMBL953212 0.61 TAAR1 (0.53) TAAR1CYP2D6NFKB1HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 — — US disclosed
WO-2023183394-A1 ALPHA 1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. (US) 2023-09-28 — — 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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE ADRA1A, ADRB1, ADRA1D TAAR1 26/4885CYP2D6 336/4885NFKB1 2217/4885

“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.

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