SCHEMBL24310077

SCHEMBL24310077

Oc1cc(F)cc(C2CCNCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 7/20 0.41
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
PTPN5 P54829 1/20 0.40
PARP1 P09874 2/20 0.38
KCNH2 Q12809 2/20 0.38
USP7 Q93009 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL241200 0.86 SLC18A3 (0.50) QDPRSLC18A3SIGMAR1HTR2CTNKS
SCHEMBL23931791 0.86 CA12 (0.52) CA12CA1CA9
Hydrochloric Acid SCHEMBL1765191 0.84 HTR2C (0.48) QDPRSLC18A3SIGMAR1HTR2CTNKS
SCHEMBL3384000 0.78 SLC18A3 (0.42) QDPRSLC18A3SIGMAR1HTR2CKCNH2
SCHEMBL7532624 0.78 CA12 (0.43) CA12CA1CA9
SCHEMBL26407761 0.78 HTR2C (0.56) QDPRSLC18A3SIGMAR1HTR2CTNKS
SCHEMBL24067500 0.77 SLC18A3 (0.64) QDPRSLC18A3SIGMAR1HTR2CPTPN5
SCHEMBL13406398 0.76 HCAR1 (0.44) QDPRSLC18A3SIGMAR1HTR1ASLC6A2
SCHEMBL24309521 0.75 QDPR (0.51) QDPRCA12CA1CA9TNKS
SCHEMBL23642132 0.75 HTR2C (0.64) SLC18A3SIGMAR1HTR2CTNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B QDPR 1331/4885CA12 4521/4885CA1 4872/4885

“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.