SCHEMBL26078341

SCHEMBL26078341

Clc1ccc(CC2=NCCN2)cc1-n1cccn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HTR1B P28222 4/20 0.47
▸ ADRA2A P08913 4/20 0.47
▸ ADRA2B P18089 3/20 0.47
▸ ADRA2C P18825 3/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ ADRA1A P35348 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTR1D P28221 5/20 0.45
▸ RAD52 P43351 1/20 0.40

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
SCHEMBL26078339 0.78 TAAR1 (0.44) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL953553 0.77 TAAR1 (0.60) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL4629679 0.72 TAAR1 (0.76) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL26078340 0.72 HTR1D (0.49) TAAR1CYP2D6HTR1BADRA2AADRA2B
SCHEMBL4986025 0.71 TAAR1 (0.56) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL26078517 0.71 ADRA1A (0.47) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL26078328 0.70 ADRA1A (0.51) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL2869241 0.69 HTR1D (0.69) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL5203954 0.68 ADRA1A (0.51) TAAR1CYP2D6NFKB1HTR1BADRA2A
SCHEMBL26078317 0.68 ADRA1A (0.51) TAAR1CYP2D6NFKB1HTR1BADRA2A

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
US-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 — — 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-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.

Send feedback