SCHEMBL13644118

SCHEMBL13644118

CN(Cc1ccncc1F)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TGFBR1 P36897 1/20 0.38
▸ TGFBR2 P37173 1/20 0.38
▸ AOC3 Q16853 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KCNH3 Q9ULD8 1/20 0.32
▸ AOC1 P19801 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ NTRK1 P04629 1/20 0.32

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
SCHEMBL19444729 0.87 HRH3 (0.46) LOXL2ALDH1A1KDM4ETGFBR1TGFBR2
SCHEMBL937666 0.74 LOXL2 (0.57) LOXL2ALDH1A1KDM4EPOLBMAPT
SCHEMBL13744576 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EHRH3LMNA
SCHEMBL17297788 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EHRH3LMNA
SCHEMBL17297978 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EHRH3LMNA
SCHEMBL14451968 0.72 SLC6A2 (0.49) ALDH1A1KDM4EAOC3POLBHRH4
SCHEMBL21674093 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EAOC3HRH4HRH3
SCHEMBL21674291 0.68 LOXL2 (0.49) LOXL2ALDH1A1KDM4EHRH4KCNH3
SCHEMBL6583746 0.66 KDM4E (0.78) ALDH1A1KDM4EHRH4HRH3LMNA
SCHEMBL13744480 0.66 SMN1; SMN2 (0.46) HRH3MAPTSMN1; SMN2

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-20120283238-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2012-11-08 — — 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 (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-20120283238-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 LOXL2 1603/4885ALDH1A1 4076/4885KDM4E 522/4885

“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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