SCHEMBL5383349

SCHEMBL5383349

CNCC(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 4/20 0.38
ESR1 P03372 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
IDO1 P14902 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
DPP4 P27487 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL14357053 0.79 HPGD (0.41) TAAR1HPGDALDH1A1LMNAESR1
SCHEMBL2615503 0.78 ESR1 (0.58) TAAR1HPGDLMNAESR1KDM4E
SCHEMBL72988 0.78 ESR1 (0.58) TAAR1HPGDLMNAESR1KDM4E
SCHEMBL19445303 0.77 KDM4E (0.44) TAAR1HPGDALDH1A1LMNAESR1
SCHEMBL3160963 0.75 ALDH1A1 (0.46) TAAR1HPGDALDH1A1LMNAESR1
SCHEMBL4661331 0.75 LOXL2 (0.50) TAAR1HPGDLMNACYP2D6IDO1
SCHEMBL10087249 0.75 LMNA (0.63) TAAR1HPGDLMNAESR1KDM4E
SCHEMBL14387916 0.73 KDM4E (0.42) TAAR1HPGDALDH1A1LMNAESR1
SCHEMBL27597608 0.73 LOXL2 (0.43) TAAR1HPGDALDH1A1LMNAESR1
SCHEMBL13873209 0.72 ESR1 (0.52) TAAR1HPGDLMNAESR1KDM4E

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-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-07-14 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-20050153970-A1 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity ACKR3, CCL11, GPR17 TAAR1 218/4885HPGD 272/4885ALDH1A1 1127/4885

“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.