SCHEMBL18624655

SCHEMBL18624655

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.38
▸ KDM1A O60341 11/20 0.36
▸ MAOA P21397 9/20 0.36
▸ MAOB P27338 9/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HDAC4 P56524 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
SCHEMBL17414380 1.00 ATM (0.38) ATMKDM1AMAOAMAOBALDH1A1
SCHEMBL18624657 0.84 NPSR1 (0.36) ATMKDM1AMAOAMAOBALDH1A1
SCHEMBL17414375 0.78 ATM (0.38) ATMKDM1AMAOAMAOBALDH1A1
SCHEMBL19214521 0.70 TRPA1 (0.41) KDM1AMAOAMAOBALDH1A1TRPA1
SCHEMBL17414366 0.70 CHRNB2 (0.38) ATMKDM1AMAOAMAOBALDH1A1
SCHEMBL22759043 0.68 KDM1A (0.35) ATMKDM1AMAOAMAOBALDH1A1
SCHEMBL18639490 0.67 RORC (0.46) ATMKDM1AMAOBSIGMAR1
SCHEMBL22759034 0.67 MAPT (0.35) KDM1AMAOAMAOBALDH1A1NPSR1
SCHEMBL22759036 0.65 SIGMAR1 (0.34) ATMKDM1AMAOAMAOBSIGMAR1
SCHEMBL23957903 0.62 KDM1A (0.30) KDM1AMAOAMAOB

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-9724682-B2 Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 — — US disclosed
US-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 — — 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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH ATM 2965/4885KDM1A 1623/4885MAOA 24/4885

“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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