SCHEMBL8260718

SCHEMBL8260718

CC(C)N1CCC(N(C)Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
GRIN2B Q13224 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
AGTR2 P50052 2/20 0.48
HRH4 Q9H3N8 1/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
HRH1 P35367 1/20 0.45
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL26618008 0.91 OPRM1 (0.47) HRH3GRIN2BKDM4EALDH1A1AGTR2
SCHEMBL21500916 0.88 UBE2M (0.47) HRH3GRIN2BKDM4EALDH1A1AGTR2
SCHEMBL8259453 0.85 CHIA (0.53) HRH3GRIN2BAGTR2CYP2D6CHRM1
SCHEMBL20950822 0.82 CYP2D6 (0.45) HRH3GRIN2BAGTR2KCNH2CYP2D6
SCHEMBL8258573 0.82 KMT2A (0.49) HRH3GRIN2BAGTR2HRH4SLC18A3
SCHEMBL8442356 0.82 KDM4E (0.68) HRH3GRIN2BKDM4EALDH1A1AGTR2
SCHEMBL22878155 0.82 GRIN2B (0.52) HRH3GRIN2BKDM4EALDH1A1AGTR2
SCHEMBL12013096 0.82 KMT2A (0.51) HRH3GRIN2BKDM4EALDH1A1KCNH2
SCHEMBL3771082 0.82 HRH3 (0.51) HRH3ALDH1A1AGTR2KCNH2CHRM1
SCHEMBL3375289 0.81 GRIN2B (0.61) HRH3GRIN2BKDM4EALDH1A1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 US disclosed
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 789/4885GRIN2B 289/4885KDM4E 2433/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HRH3 355/4885GRIN2B 598/4885KDM4E 1755/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 HRH3 355/4885GRIN2B 598/4885KDM4E 1755/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 HRH3 420/4885GRIN2B 751/4885KDM4E 1212/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP HRH3 278/4885GRIN2B 177/4885KDM4E 2865/4885

“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.