SCHEMBL19175111

SCHEMBL19175111

N#Cc1ccc(CCC2CC2)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ SLC6A4 P31645 11/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ SLC6A2 P23975 5/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTR3A P46098 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL17654722 0.78 TRPV4 (0.43) MAOAMAOBSLC6A4SLC6A2
SCHEMBL19175665 0.76 HRH4 (0.46) SLC6A4KDM4EALDH1A1GAASLC6A2
SCHEMBL9620701 0.75 HTR2A (0.42) MAOAMAOBSLC6A4KCNH2
SCHEMBL9620645 0.75 HTR2A (0.42) MAOAMAOBSLC6A4KCNH2
SCHEMBL9620706 0.75 HTR2A (0.42) MAOAMAOBSLC6A4KCNH2
SCHEMBL9620647 0.75 HTR2A (0.42) MAOAMAOBSLC6A4KCNH2
SCHEMBL19175659 0.74 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3HTR3AKCNH2
SCHEMBL19175675 0.73 TSHR (0.42) SLC6A4KDM4EALDH1A1GAASLC6A2
SCHEMBL1026069 0.73 CYP2A6 (0.48) SLC6A4KDM4EALDH1A1GAASLC6A2
SCHEMBL19175432 0.73 KDM1A (0.44) SLC6A4KDM4EALDH1A1GAAKCNH2

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
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 — — US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 — — WO 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 (2 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MAOA 3571/4885MAOB 2350/4885SLC6A4 4749/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG MAOA 3310/4885MAOB 2863/4885SLC6A4 4789/4885

“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.

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