SCHEMBL21285384

SCHEMBL21285384

Cc1cc(N)cc(N2CC[C@H](C)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.49
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ ADRA1B P35368 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ SMPD3 Q9NY59 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43

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
SCHEMBL20697275 0.83 HRH4 (0.48) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL20689537 0.81 TYK2 (0.48) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL21227558 0.79 HRH4 (0.44) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL20689163 0.78 IKBKB (0.51) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL20689407 0.76 CRHBP (0.66) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL21212231 0.75 LMNA (0.43) HRH4SMPD3SMN1; SMN2L3MBTL1LMNA
SCHEMBL21238774 0.75 CRHBP (0.69) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL18277835 0.73 GRIN2D (0.57) HRH4GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL14114483 0.73 HRH4 (0.69) HRH4HRH3
SCHEMBL16840328 0.72 HRH4 (0.75) HRH4SMPD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 — — US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 — — 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 (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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HRH4 2233/4885GRIN2D 3718/4885GRIN3B 3663/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 HRH4 2233/4885GRIN2D 3718/4885GRIN3B 3663/4885

“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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