SCHEMBL18559250

SCHEMBL18559250

CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ CTDSP1 Q9GZU7 1/20 1.00
▸ ALDH1A1 P00352 5/20 0.78
▸ GAA P10253 1/20 0.78
▸ NPSR1 Q6W5P4 1/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ LMNA P02545 2/20 0.61
▸ MAPT P10636 3/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ THRB P10828 1/20 0.58
▸ ATM Q13315 1/20 0.53
▸ PTGES O14684 2/20 0.51

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
SCHEMBL18559238 0.88 ALDH1A1 (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18559080 0.86 ALDH1A1 (0.83) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18558952 0.84 ALDH1A1 (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18559342 0.82 ALDH1A1 (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18559325 0.74 MAPT (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL20682661 0.73 SMN1; SMN2 (0.79) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18559271 0.71 LMNA (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL20682650 0.71 LMNA (0.78) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1
SCHEMBL18559350 0.69 ALDH1A1 (1.00) CYP3A4CYP2C19ALDH1A1GAANPSR1
SCHEMBL18559341 0.69 ATM (1.00) CYP3A4CYP2D6CYP2C19CTDSP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 — — US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 — — US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 — — US disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 — — US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — 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 (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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP3A4 3922/4885CYP2D6 4699/4885CYP2C19 4555/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP3A4 3964/4885CYP2D6 4715/4885CYP2C19 4613/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP3A4 3922/4885CYP2D6 4699/4885CYP2C19 4555/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP3A4 3737/4885CYP2D6 4672/4885CYP2C19 4505/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP3A4 3964/4885CYP2D6 4715/4885CYP2C19 4613/4885

“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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