SCHEMBL179198

SCHEMBL179198

CC(C)N1CCC2(CC1)CCN(C(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL18125597 0.88 CYP2D6 (0.35) KCNH2CYP2D6GRIN2DGRIN3BCHRM2
SCHEMBL22432847 0.88 GRIN2D (0.35) KCNH2CYP2D6GRIN2DGRIN3BCHRM2
SCHEMBL18125596 0.85 CYP2D6 (0.36) CYP2D6HRH3
SCHEMBL20381526 0.85 GRIN2D (0.36) KCNH2GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL10111445 0.83 CYP2D6 (0.46) CYP2D6HRH3
SCHEMBL117165 0.83 GRIN2D (0.46) KCNH2GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL13697424 0.82 GRIN2D (0.31) KCNH2CYP2D6GRIN2DGRIN3BCHRM2
SCHEMBL15781123 0.81 GRIN2D (0.45) KCNH2GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL7770721 0.81 CYP2D6 (0.45) CYP2D6HRH3
SCHEMBL20381539 0.79 CYP2D6 (0.32) CYP2D6

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-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
WO-2023125908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20220143195-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD KCNH2 4876/4885CYP2D6 1066/4885GRIN2D 4479/4885
US-20230142629-A1 BIFUNCTIONAL DEGRADERS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND THERAPEUTIC USE THEREOF IRAK1, IRAK2, IRAK4 KCNH2 4830/4885CYP2D6 4363/4885GRIN2D 4028/4885
US-20220143195-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK KCNH2 4624/4885CYP2D6 3775/4885GRIN2D 4843/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E KCNH2 1037/4885CYP2D6 4777/4885GRIN2D 4320/4885
US-20230029378-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK KCNH2 4624/4885CYP2D6 3775/4885GRIN2D 4843/4885

“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.