SCHEMBL2997583

SCHEMBL2997583

C=CCC(C)(N)c1ccc(C(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.46
NR1H4 Q96RI1 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
RXRA P19793 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP1A2 P05177 2/20 0.36
NFE2L2 Q16236 1/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL4750592 0.75 RXRB (0.44) RXRBNR1H4RXRAALDH1A1TDP1
SCHEMBL2806543 0.73 RXRB (0.59) RXRBNR1H4RXRAALDH1A1TDP1
SCHEMBL162565 0.73 RXRB (0.69) RXRBNR1H4RXRATDP1EPHX2
SCHEMBL30295343 0.73 RXRB (0.59) RXRBNR1H4RXRAALDH1A1TDP1
SCHEMBL17908058 0.72 RXRB (0.57) RXRBNR1H4RXRAALDH1A1TDP1
SCHEMBL2997588 0.72 MAPT (0.51) KMT2AMEN1ALDH1A1TSHRTDP1
SCHEMBL20556307 0.71 RXRB (0.53) RXRBNR1H4KMT2AMEN1SMN1; SMN2
SCHEMBL28191970 0.71 RXRB (0.58) RXRBNR1H4RXRAALDH1A1TDP1
SCHEMBL28739921 0.70 NR1H4 (0.47) RXRBNR1H4KMT2AMEN1RXRA
SCHEMBL3581346 0.69 RXRB (0.46) RXRBNR1H4SMN1; SMN2RXRAALDH1A1

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 3 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
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 RXRB 4224/4885NR1H4 1977/4885KMT2A 378/4885

“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.