SCHEMBL29634202

SCHEMBL29634202

CN1CCN(c2c(F)c(N)c3c(c2F)n(C2CC2)c2cc(=O)n(O)c(=O)n32)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 2/20 0.31
CACNA1F O60840 1/20 0.31
POLB P06746 1/20 0.31
CACNA1D Q01668 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9302145 0.75 CRBN (0.38) TSHRMAPTALDH1A1CYP1A2HSD17B10
SCHEMBL9564474 0.65 KDM4E (0.39) TSHRMAPTALDH1A1CYP1A2CASP1
SCHEMBL9301180 0.64 HTR6 (0.36) ALDH1A1CYP1A2CASP1CASP7USP2
SCHEMBL9302393 0.64 KDM4E (0.38) MAPTALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL10412149 0.62 CACNA1F (0.71) MAPK1CACNA1FPOLBCACNA1DKCNH2
SCHEMBL9301465 0.62 ALDH1A1 (0.45) TSHRMAPTALDH1A1CYP1A2CASP1
Hydrochloric Acid SCHEMBL9304165 0.62 ALDH1A1 (0.45) TSHRMAPTALDH1A1CYP1A2CASP1
SCHEMBL9302026 0.61 DRD3 (0.44) ALDH1A1POLBKDM4E
SCHEMBL9564459 0.61 MEN1 (0.40) TSHRALDH1A1CYP1A2CASP1CASP7
SCHEMBL10542768 0.60 CACNA1F (0.67) MAPK1CACNA1FPOLBCACNA1DKCNH2

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
EP-3226909-B1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2026-04-15 EP disclosed
US-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2022-09-29 US disclosed
EP-3986471-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS Ascendis Pharma A/S (DK) 2022-04-27 EP 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-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS NQO1, HNMT, PNMT TSHR 1757/4885MAPT 960/4885ALDH1A1 288/4885

“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.