SCHEMBL426887

SCHEMBL426887

Cc1ccc(C(F)(F)C(F)(F)F)c(CN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
CYP2A13 Q16696 5/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL14515373 0.89 HSD17B10 (0.50) HSD17B10CYP2A13CNR1CNR2NPC1
SCHEMBL426815 0.84 NR1H2 (0.50) RAB9ASMN1; SMN2KMT2AATMMEN1
SCHEMBL448255 0.83 NR1H2 (0.46) HSD17B10CYP2A13CNR1CNR2KMT2A
SCHEMBL429246 0.83 LMNA (0.46) KMT2AATMMEN1NPSR1ALOX15
SCHEMBL10104471 0.80 PDE3B (0.55) HSD17B10CYP2A13CNR1CNR2NPC1
SCHEMBL445224 0.78 CTSB (0.64) SMN1; SMN2KMT2AMEN1CYP2C9
SCHEMBL10290331 0.78 CYP2A13 (0.61) HSD17B10CYP2A13NPC1RAB9ASMN1; SMN2
SCHEMBL16588036 0.77 CYP2A13 (0.65) HSD17B10CYP2A13CNR1CNR2NPC1
SCHEMBL12569577 0.75 CYP2A13 (0.61) HSD17B10CYP2A13NPC1RAB9ASMN1; SMN2
SCHEMBL10163424 0.75 ALOX15 (0.65) HSD17B10CYP2A13NPC1RAB9ASMN1; SMN2

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 HSD17B10 1528/4885CYP2A13 520/4885CNR1 46/4885

“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.