SCHEMBL24309659

SCHEMBL24309659

CC(C)c1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.43
▸ HTR7 P34969 7/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ GPR39 O43194 1/20 0.36
▸ NAT1 P18440 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ SLC8A1 P32418 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL29567073 1.00 HTR1A (0.43) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26808373 0.92 HTR1A (0.41) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26808367 0.91 HTR1A (0.40) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26808415 0.91 SMN1; SMN2 (0.45) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26808368 0.90 HTR1A (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808371 0.89 MAPT (0.41) HTR1AHTR7DRD2HTR6TSHR
SCHEMBL26808355 0.88 HTR6 (0.39) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL26808374 0.88 HTR1A (0.44) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL24309472 0.87 SMN1; SMN2 (0.48) TSHRSMN1; SMN2GPR39NAT1PGR
SCHEMBL26808408 0.86 HTR1A (0.45) HTR1AHTR7DRD2HTR6TSHR

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 HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“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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