SCHEMBL830941

SCHEMBL830941

C=CCC(C)(N)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
MAPT P10636 1/20 0.38
CYP2A6 P11509 2/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
CYP19A1 P11511 3/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36
PTPN5 P54829 1/20 0.35
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL28485102 0.78 KIF11 (0.52) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL241243 0.78 KIF11 (0.42) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL830678 0.77 PYCR1 (0.37) MAPTCYP2A6ALDH1A1TSHRATM
SCHEMBL13246739 0.77 TACR1 (0.41) KIF11ALDH1A1TSHRATMHTT
SCHEMBL7025558 0.74 KIF11 (0.55) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL8479151 0.74 KIF11 (0.55) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL7025554 0.74 KIF11 (0.55) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL156260 0.73 KIF11 (0.59) KIF11CYP2A6LOXL2CYP19A1ALDH1A1
SCHEMBL838589 0.72 ATM (0.33) MAPTALDH1A1TSHRATMHTT
SCHEMBL26394625 0.72 KIF11 (0.53) KIF11CYP2A6LOXL2CYP19A1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-8143451-B2 Reacting a ketone with an allyl boron compound anc ammonia or ammonium salt; synthons KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-27 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 US disclosed
US-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-06-12 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-20080139847-A1 METHODS OF PREPARING TERTIARY CARBINAMINE COMPOUNDS INMT, CROCC, GNMT KIF11 1608/4885MAPT 3624/4885CYP2A6 2331/4885

“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.