SCHEMBL4819490

SCHEMBL4819490

COc1ccc(NCC(CN)NC(=O)[C@@H]2CCCC[C@@H]2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
EPHX1 P07099 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CTSK P43235 2/20 0.38
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
CTSC P53634 4/20 0.37
KCNH2 Q12809 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
HDAC4 P56524 1/20 0.37
MEF2D Q14814 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4827335 0.89 CTSS (0.44) EPHX2CTSKALDH1A1MEN1KMT2A
SCHEMBL4819482 0.89 SMN1; SMN2 (0.41) EPHX2GFERNPC1RAB9AEPHX1
SCHEMBL4827328 0.79 CTSS (0.44) EPHX2SMN1; SMN2CTSKMEN1KMT2A
SCHEMBL4823785 0.78 CTSK (0.50) EPHX2CTSKMAPT
SCHEMBL4820594 0.78 CTSK (0.50) EPHX2CTSKMAPT
SCHEMBL24283531 0.77 SMN1; SMN2 (0.58) EPHX2NPC1RAB9AEPHX1SMN1; SMN2
SCHEMBL4818780 0.77 CYP2C9 (0.41) SMN1; SMN2ALDH1A1CTSCKCNH2
SCHEMBL4826839 0.77 AHR (0.40) NPC1RAB9ACTSKKCNH2
SCHEMBL8241230 0.77 AHR (0.40) NPC1RAB9ACTSKKCNH2
SCHEMBL4826964 0.76 CCR1 (0.41) RAB9ASMN1; SMN2ALDH1A1CTSCKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF EPHX2 4212/4885GFER 4182/4885NPC1 68/4885

“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.