SCHEMBL9202

SCHEMBL9202

CCCC(=O)NCC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CA9 Q16790 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.46

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
SCHEMBL19704971 0.94 FAAH (0.50) EPHX1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL1690847 0.90 FAAH (0.57) SMN1; SMN2FAAHHDAC3HDAC1HDAC2
SCHEMBL13519 0.89 FAAH (0.57) EPHX1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL27405108 0.87 FAAH (0.60) EPHX1NPC1RAB9ASMN1; SMN2FAAH
SCHEMBL30259898 0.87 FAAH (0.59) EPHX1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL19957328 0.86 FAAH (0.58) FAAHHPGDHDAC3HDAC4HDAC1
SCHEMBL3963145 0.86 FAAH (0.58) FAAHHPGDHDAC3HDAC4HDAC1
SCHEMBL14241831 0.84 EPHX1 (0.57) EPHX1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL8886 0.84 EPHX1 (0.57) EPHX1NPC1RAB9ASMN1; SMN2CA12
SCHEMBL19154742 0.84 FAAH (0.60) MEN1KMT2AFAAHHPGDHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 US disclosed
WO-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (3 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP EPHX1 310/4885NPC1 2088/4885RAB9A 1054/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 EPHX1 2531/4885NPC1 4389/4885RAB9A 2090/4885
US-20190322665-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 EPHX1 2531/4885NPC1 4389/4885RAB9A 2090/4885

“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.