SCHEMBL13246762

SCHEMBL13246762

C=CC[C@@]1(N)CCCC[C@@H]1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 18/20 0.45
MAOB P27338 18/20 0.45
KDM1A O60341 17/20 0.45

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
SCHEMBL14042739 1.00 MAOA (0.45) MAOAMAOBKDM1A
SCHEMBL11345821 0.81 MAOA (0.45) MAOAMAOBKDM1A
SCHEMBL10676812 0.72 GAA (0.42)
SCHEMBL2481698 0.72 KDM1A (0.59) MAOAMAOBKDM1A
SCHEMBL10813259 0.72 SMN1; SMN2 (0.44)
SCHEMBL14652769 0.70 KDM1A (0.60) MAOAMAOBKDM1A
SCHEMBL3372805 0.70 NOS3 (0.30)
SCHEMBL8720460 0.69 KDM1A (0.42) MAOAMAOBKDM1A
SCHEMBL11499118 0.68 KDM1A (0.43) MAOAMAOBKDM1A
SCHEMBL10407205 0.68 KDM1A (0.36) MAOAMAOBKDM1A

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-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 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-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA HNMT, AADAT, DAO MAOA 45/4885MAOB 69/4885KDM1A 1142/4885

“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.