SCHEMBL17414375

SCHEMBL17414375

CB(O)N1[C@@H](c2ccccc2)[C@H](C)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM1A O60341 10/20 0.36
▸ MAOA P21397 9/20 0.36
▸ MAOB P27338 9/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRNA7 P36544 2/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL18624657 0.84 NPSR1 (0.36) ATMNPSR1HTTLMNAKDM1A
SCHEMBL17414380 0.78 ATM (0.38) ATMNPSR1HTTLMNAKDM1A
SCHEMBL18624655 0.78 ATM (0.38) ATMNPSR1HTTLMNAKDM1A
SCHEMBL17414366 0.70 CHRNB2 (0.38) ATMNPSR1HTTLMNAKDM1A
SCHEMBL19214521 0.67 TRPA1 (0.41) KDM1AMAOAMAOBALDH1A1TRPA1
SCHEMBL4349095 0.60 TRPA1 (0.47) HTTKDM1AMAOAMAOBALDH1A1
SCHEMBL14065397 0.60 CHRNB2 (0.44) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL14095714 0.59 SMN1; SMN2 (0.33) MAOAMAOBALDH1A1MAPTSMN1; SMN2
SCHEMBL14223522 0.59 ALDH1A1 (0.43) ATMNPSR1HTTLMNAALDH1A1
SCHEMBL13823143 0.58 TRPA1 (0.41) LMNAKDM1AMAOAMAOBALDH1A1

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-9487472-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-08 — — US disclosed
US-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD (US) 2016-01-07 — — 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-20160002145-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH ATM 2965/4885NPSR1 853/4885HTT 1019/4885

“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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