SCHEMBL25928397

SCHEMBL25928397

CC(C)c1cc(Br)nc(C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.34
CHRM3 P20309 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PDE8B O95263 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL18068012 0.88 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL18068024 0.82 CHRM3 (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL12986697 0.79 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL20642371 0.79 PDE10A (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL21212746 0.79 PDE10A (0.36) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL25927999 0.78 NOS3 (0.32) NOS3NOS1NOS2HRH3HRH4
SCHEMBL20642389 0.75 PDE10A (0.32) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL28301853 0.75 PDE10A (0.42) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL21212780 0.73 NOS3 (0.35) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL22695633 0.71 LMNA (0.37) NOS3NOS1NOS2CCNT1CDK9

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-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (3 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH PDE10A 1633/4885CHRM3 3199/4885PDE4A 1244/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH PDE10A 1633/4885CHRM3 3199/4885PDE4A 1244/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH PDE10A 3198/4885CHRM3 4629/4885PDE4A 3573/4885

“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.