SCHEMBL29303154

SCHEMBL29303154

CC(C)c1cccc2nn(C)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ CYP1A2 P05177 5/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ HPGD P15428 5/20 0.35
▸ TSHR P16473 4/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL29304877 0.81 ANPEP (0.37) ELANECYP1A2CYP3A4HPGDTSHR
SCHEMBL23809324 0.74 KMT2A (0.36) ELANECYP1A2CYP3A4HPGDTSHR
SCHEMBL29316326 0.67 MAPK13 (0.45) CYP1A2CYP3A4HPGDTSHRGABRA1
SCHEMBL19910613 0.67 MAPK13 (0.41) CYP1A2CYP3A4HPGDTSHRGABRA1
SCHEMBL6925654 0.66 MAPK13 (0.41) ELANECYP1A2CYP3A4HPGDTSHR
SCHEMBL28860343 0.66 PDPK1 (0.35) SLC9A1KEAP1
SCHEMBL29303178 0.64 GABRA1 (0.34) CYP1A2CYP3A4HPGDTSHRGABRA1
SCHEMBL15341892 0.64 GABRA1 (0.38) CYP1A2CYP3A4HPGDTSHRGABRA1
SCHEMBL24370980 0.64 TSHR (0.38) ELANECYP1A2CYP3A4HPGDTSHR
SCHEMBL18368377 0.64 KEAP1 (0.46) ELANECYP1A2CYP3A4HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — US disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 — — 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 (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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 ELANE 4842/4885CYP1A2 1257/4885CYP3A4 1096/4885

“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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