SCHEMBL24310542

SCHEMBL24310542

Cc1ccccc1-c1cc(Oc2cccc(N3CCN(C)CC3)c2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ DRD3 P35462 3/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ HTR1A P08908 2/20 0.43
▸ RAD52 P43351 2/20 0.41
▸ MAP4K1 Q92918 1/20 0.40
▸ BRD4 O60885 3/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ JAK2 O60674 6/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ PTK2 Q05397 5/20 0.38
▸ GUSB P08236 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ PHGDH O43175 1/20 0.36

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
SCHEMBL29567212 1.00 HTR2C (0.43) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL24310014 0.92 HTR1A (0.42) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL29567219 0.85 HTR7 (0.42) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL24309381 0.85 HTR7 (0.42) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL29567227 0.85 MAP4K1 (0.43) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL24310343 0.85 MAP4K1 (0.43) HTR2CHTR2ADRD3HTR6HTR7
SCHEMBL29566726 0.85 RIPK2 (0.39) HTR6HTR7HTR1AMAP4K1GUSB
SCHEMBL26807316 0.85 RIPK2 (0.39) HTR6HTR7HTR1AMAP4K1GUSB
SCHEMBL24309255 0.84 DRD2 (0.36) HTR2AHTR6HTR7HTR1AMAP4K1
SCHEMBL24310431 0.84 HTR2C (0.41) HTR2CHTR2ADRD3HTR6HTR7

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 HTR2C 4185/4885HTR2A 3630/4885DRD3 4541/4885

“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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