SCHEMBL429246

SCHEMBL429246

Cc1ccc(C(F)(F)C(F)(F)F)c(CN2CCNCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
CXCR4 P61073 1/20 0.43
HTR6 P50406 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
HTR2C P28335 1/20 0.39
AXL P30530 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM1A O60341 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL426815 0.84 NR1H2 (0.50) LMNAHTR6HPGDKDM4EALDH1A1
SCHEMBL426887 0.83 HSD17B10 (0.48) ALOX15MEN1KMT2AATMNPSR1
SCHEMBL17320454 0.80 NR1H2 (0.51) LMNACXCR4MKNK1MKNK2CYP1A2
SCHEMBL2925321 0.77 LMNA (0.63) LMNACXCR4CYP1A2CHRM2SLC6A4
SCHEMBL20804225 0.75 LMNA (0.51) LMNACXCR4HTR6CYP1A2CHRM2
SCHEMBL22425608 0.75 LMNA (0.61) LMNACXCR4HPGDKDM4EALDH1A1
SCHEMBL14426354 0.75 KDM4E (0.51) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL22542165 0.74 LMNA (0.63) LMNACXCR4CYP1A2CHRM2SLC6A4
SCHEMBL14426353 0.74 KDM4E (0.50) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL28986035 0.73 KDM5C (0.49) LMNACXCR4HTR6HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP 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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO LMNA 1409/4885CXCR4 627/4885HTR6 491/4885

“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.