SCHEMBL21317455

SCHEMBL21317455

CC(C)c1cncc(N2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.54
CYP11B2 P19099 3/20 0.44
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL21282908 0.91 CCR6 (0.45) CCR6CYP11B2CYP11B1
SCHEMBL20153317 0.80 LMNA (0.48) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL22573887 0.78 CYP11B2 (0.50) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL30919616 0.78 CYP11B2 (0.50) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL12545656 0.77 ALDH1A1 (0.57) LMNANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL25480071 0.77 CRBN (0.49) CCR6CYP11B2ALDH1A1HPGDMEN1
SCHEMBL31745141 0.76 CYP11B2 (0.47) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL3377698 0.76 NPC1 (0.57) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL17828138 0.76 CYP11B2 (0.46) CCR6CYP11B2LMNANPC1CYP1A2
SCHEMBL21848976 0.76 CCR6 (0.51) CCR6CYP11B2LMNANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 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 (9 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CCR6 773/4885CYP11B2 51/4885LMNA 4790/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 CCR6 773/4885CYP11B2 51/4885LMNA 4790/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR6 4225/4885CYP11B2 1907/4885LMNA 1845/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CCR6 489/4885CYP11B2 733/4885LMNA 2861/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV CCR6 1734/4885CYP11B2 989/4885LMNA 2720/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CCR6 773/4885CYP11B2 51/4885LMNA 4790/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CCR6 372/4885CYP11B2 628/4885LMNA 2992/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CCR6 462/4885CYP11B2 772/4885LMNA 3224/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 CCR6 838/4885CYP11B2 1645/4885LMNA 2019/4885

“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.