SCHEMBL6407846

SCHEMBL6407846

N#Cc1ccc(C[CH]c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HRH4 Q9H3N8 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
TBXA2R P21731 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 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
SCHEMBL5623488 0.85 TDP1 (0.50) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL3410482 0.77 MAOA (0.56) MAOAMAOBLOXL2CYP2A6MEN1
SCHEMBL1834984 0.72 LOXL2 (0.46) MAOAMAOBLOXL2CYP2A6MAPT
SCHEMBL11452687 0.72 KCNH2 (0.48) SLC6A4SLC6A3KCNH2
SCHEMBL6032402 0.70 LOXL2 (0.50) MAOAMAOBKCNH2LOXL2CYP2A6
SCHEMBL31739252 0.68 MAOA (0.61) MAOAMAOBKCNH2LOXL2CYP2A6
SCHEMBL3397548 0.68 TDP1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7790462 0.68 TDP1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL10681119 0.67 ALDH1A1 (0.43) TDP1MEN1MAPTKMT2A
SCHEMBL19437177 0.67 MAOB (0.41) MAOAMAOBLOXL2CYP2A6CYP19A1

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-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates ASTRAZENECA AB (SE) 2005-01-20 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-20050014940-A1 Process for the preparation of 2-or-9-oxa-3, 7-diazabicyclo (3.3.1) nonanes from 2-aminomethyl-2, 3-dihydrooxazines intermediates therefore, and processes for preparing such intermediates AOX1, DHODH, DHRS9 MAOA 266/4885MAOB 193/4885GABRA1 2551/4885

“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.