SCHEMBL26078615

SCHEMBL26078615

Cc1cc(CC2=NCCN2)cc(OC(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 10/20 0.50
▸ HTR1B P28222 8/20 0.50
▸ TAAR1 Q96RJ0 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ ADRA2A P08913 4/20 0.43
▸ ADRA2B P18089 4/20 0.43
▸ ADRA2C P18825 4/20 0.43
▸ ADRA1D P25100 4/20 0.43
▸ ADRA1A P35348 4/20 0.43
▸ ADRA1B P35368 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PTGIR P43119 1/20 0.42
▸ HTR1A P08908 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL26078570 0.75 HTR1D (0.59) HTR1DHTR1BTAAR1CYP2D6ADRA2A
SCHEMBL26078572 0.75 HTR1D (0.55) HTR1DHTR1BTAAR1CYP2D6NFKB1
SCHEMBL26078581 0.70 TAAR1 (0.46) HTR1DHTR1BTAAR1CYP2D6NFKB1
SCHEMBL26078386 0.70 TAAR1 (0.46) HTR1DHTR1BTAAR1CYP2D6NFKB1
SCHEMBL16958447 0.70 CETP (0.37) LMNAMAPK1POLBMAPT
SCHEMBL26078619 0.69 HTR1B (0.48) HTR1DHTR1BTAAR1CYP2D6NFKB1
SCHEMBL16960748 0.69 CYP4F2 (0.38) LMNATSHRTP53POLB
SCHEMBL5204185 0.68 HTR1D (0.49) HTR1DHTR1BTAAR1CYP2D6NFKB1
SCHEMBL16955237 0.67 FFAR4 (0.33) LMNAPOLB
SCHEMBL16951517 0.67 BACE1 (0.36) LMNAPOLBMAPT

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-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 HTR1D 47/4885HTR1B 105/4885TAAR1 26/4885

“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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