SCHEMBL26078336

SCHEMBL26078336

Clc1ccc(CC2=NCCN2)c(-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 6/20 0.52
▸ ADRA1D P25100 5/20 0.52
▸ ADRA1B P35368 5/20 0.52
▸ TAAR1 Q96RJ0 7/20 0.45
▸ ADRA2A P08913 3/20 0.45
▸ ADRA2B P18089 3/20 0.45
▸ ADRA2C P18825 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NISCH Q9Y2I1 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTR1D P28221 3/20 0.42
▸ HTR1B P28222 3/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NPC1 O15118 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
SCHEMBL26078349 0.86 ADRA1A (0.48) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL11627477 0.84 ADRA1A (0.63) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078351 0.84 ADRA2C (0.41) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078345 0.84 ADRA1A (0.52) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078350 0.84 TAAR1 (0.44) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078491 0.83 TAAR1 (0.51) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078533 0.79 ADRA2C (0.44) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078331 0.77 ADRA1A (0.50) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL26078346 0.77 ADRA1A (0.51) ADRA1AADRA1DADRA1BTAAR1ADRA2A
SCHEMBL11632111 0.76 ADRA1A (0.53) ADRA1AADRA1DADRA1BTAAR1ADRA2A

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 ADRA1A 1/4885ADRA1D 3/4885ADRA1B 4/4885

“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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