SCHEMBL21709625

SCHEMBL21709625

CC(C)N1CCC(N2CCN(C(=O)C3CC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL19203829 0.93 HRH3 (0.54) HRH3ALDH1A1HPGDLMNACHRNB2
SCHEMBL13808560 0.87 HRH3 (0.51) HRH3HPGDLMNAMEN1KMT2A
SCHEMBL26295631 0.86 KMT2A (0.51) HRH3ALDH1A1HTTLMNAMEN1
SCHEMBL104632 0.86 HRH3 (0.63) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL14453913 0.84 HRH3 (0.66) HRH3ALDH1A1TSHRHPGDHTT
SCHEMBL4475509 0.83 HRH3 (0.49) HRH3CYP2D6KCNH2
SCHEMBL19203866 0.83 HRH3 (0.49) HRH3CYP2D6KCNH2
SCHEMBL23384264 0.81 HRH3 (0.48) HRH3CYP2D6KCNH2
SCHEMBL26173142 0.81 HRH3 (0.48) HRH3CYP2D6KCNH2ACACBACACA
SCHEMBL15219332 0.81 HTT (0.61) HRH3ALDH1A1TSHRHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 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 (1 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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HRH3 2897/4885ALDH1A1 4677/4885TSHR 3168/4885

“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.