SCHEMBL13246749

SCHEMBL13246749

C=CCC(C)(N)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6609230 0.77 MAPT (0.49) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5775892 0.72
SCHEMBL29175499 0.72
SCHEMBL9616922 0.71 MAPT (0.65) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
Propane SCHEMBL9501767 0.70 MAPT (0.54) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL21838537 0.70 MAPT (0.44) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24241213 0.69 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10763870 0.69 MAPT (0.61) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30514609 0.69 MAPT (0.41) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL21838536 0.69 MAPT (0.43) MAPTCYP3A4CYP2D6CYP2C9CYP2C19

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 5 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-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
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
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO 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 MAPT 4101/4885CYP3A4 88/4885CYP2D6 627/4885

“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.