SCHEMBL29797969

SCHEMBL29797969

FC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL4359049 1.00 GPR3 (0.46) GPR3HTR2AHTR7HTR2BHDAC3
SCHEMBL30829186 0.83 MEN1 (0.35) GPR3HTR2AHTR7HTR2BKMT2A
SCHEMBL10019068 0.82 ALDH1A1 (0.50) GPR3HTR2AHTR7HTR2BPOLB
SCHEMBL7562005 0.81 GPR3 (0.46) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL11199828 0.80 HTR7 (0.49) GPR3HTR2AHTR7HTR2BPOLB
SCHEMBL19934228 0.78 GPR3 (0.34) GPR3HTR2AHTR7HTR2BHDAC3
SCHEMBL19926520 0.78 MEN1 (0.42) HTR7HTR2BNCOR2POLBCYP1A2
SCHEMBL9811069 0.77 PPIA (0.43) GPR3HTR2ACYP19A1
SCHEMBL5613617 0.76 GPR3 (0.33) GPR3HTR2AHTR7HTR2BHDAC3
SCHEMBL23552340 0.75 PDK2 (0.42) GPR3HTR2AHTR7HTR2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN 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 (5 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-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 GPR3 296/4885HTR2A 3808/4885HTR7 3479/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GPR3 296/4885HTR2A 3808/4885HTR7 3479/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 GPR3 296/4885HTR2A 3808/4885HTR7 3479/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 GPR3 296/4885HTR2A 3808/4885HTR7 3479/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 GPR3 780/4885HTR2A 4011/4885HTR7 3665/4885

“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.