SCHEMBL10249362

SCHEMBL10249362

CCCOc1ccc(F)c(C(C#N)Cc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.39
KMT2A Q03164 1/20 0.37
S1PR3 Q99500 1/20 0.36
ACACB O00763 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
FGFR1 P11362 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK2 Q15119 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL621609 0.89 LTA4H (0.44) ESR1ESR2FGFR1MAOBSMN1; SMN2
SCHEMBL623518 0.85 KMT2A (0.43) KMT2AESR1ESR2MAOBLMNA
SCHEMBL12473939 0.80 KDM4E (0.41) KMT2ANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL623037 0.79 PDK2 (0.48) L3MBTL1MAPTPDK2
SCHEMBL620856 0.75 ESR1 (0.54) KMT2AESR1ESR2ALOX5PPARG
SCHEMBL866781 0.75 SLC6A9 (0.51) KMT2ALMNA
SCHEMBL1482971 0.74 IDO1 (0.41) KMT2AESR1ESR2MAOBPPARG
SCHEMBL9945956 0.72 CARM1 (0.42) KAT6AKMT2AMAOBMAPTPDK2
SCHEMBL12473902 0.69 LTA4H (0.48) FGFR1SMN1; SMN2PDK2
SCHEMBL14999399 0.68 PLA2G7 (0.53) ACACB

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-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 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 (2 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT KAT6A 384/4885KMT2A 682/4885S1PR3 548/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT KAT6A 384/4885KMT2A 682/4885S1PR3 548/4885

“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.