SCHEMBL18639712

SCHEMBL18639712

C[C@@H]1CC(c2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.45
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GBA1 P04062 1/20 0.37
DPP4 P27487 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PNMT P11086 1/20 0.36

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
SCHEMBL15730577 1.00 HDAC2 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL4194401 1.00 HDAC2 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL15730212 1.00 HDAC2 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL4207545 1.00 HDAC2 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL24477577 0.82 SLC18A3 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL11217932 0.82 SLC18A3 (0.45) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL5011948 0.82 SLC18A3 (0.55) SLC18A3SIGMAR1SLC6A2ADRA1AHTR2B
SCHEMBL31412629 0.80 KDM1A (0.39) SIGMAR1SLC6A2HTR2BSLC6A3PNMT
Hydrochloric Acid SCHEMBL23123614 0.80 SLC18A3 (0.44) HDAC2SLC18A3SIGMAR1SLC6A2ADRA1A
SCHEMBL768116 0.78 SLC18A3 (0.45) SLC18A3SIGMAR1SLC6A2ADRA1ASLC6A3

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 HDAC2 507/4885SLC18A3 1168/4885SIGMAR1 1591/4885

“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.