SCHEMBL23716979

SCHEMBL23716979

CC(C)c1cn(C)c(C(F)(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCHR1 Q99705 1/20 0.32
HTT P42858 1/20 0.32
MC4R P32245 1/20 0.31

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
SCHEMBL25718312 0.86 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL25793253 0.85 HTT (0.30) HTT
SCHEMBL21306784 0.82 MC4R (0.32) MC4R
SCHEMBL15730540 0.72 HTT (0.34) HTT
SCHEMBL20320630 0.72 HTT (0.38) TSHRHTT
SCHEMBL23507200 0.72
SCHEMBL23633193 0.71 ALDH1A1 (0.36) HTT
SCHEMBL25791989 0.71 HTT (0.41) HTT
SCHEMBL6289321 0.70 KMT2A (0.33) MC4R
SCHEMBL4100466 0.70 NOS3 (0.34) MC4R

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-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-29 US disclosed
US-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-15 US disclosed
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
WO-2023083285-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
WO-2023083286-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-08-05 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 (3 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-20230183210-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF USP1, USP2, USP28 CYP3A4 4056/4885CYP2D6 4131/4885TSHR 4114/4885
US-20210238176-A1 PESTICIDALLY-ACTIVE BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, CYP1B1 CYP3A4 31/4885CYP2D6 62/4885TSHR 2119/4885
US-11739077-B2 Small molecule inhibitors of ubiquitin specific protease 1 (USP1) and uses thereof USP1, USP2, USP28 CYP3A4 4056/4885CYP2D6 4131/4885TSHR 4114/4885

“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.