SCHEMBL18494010

SCHEMBL18494010

CNN[C@@H](CC1CCCCC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
CTSK P43235 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
EPHX1 P07099 2/20 0.39
LTA4H P09960 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CTSS P25774 1/20 0.37
CPB2 Q96IY4 3/20 0.37
ALOX5 P09917 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.37
METAP2 P50579 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
SCHEMBL18494009 0.90 CTSL (0.39) CTSLCTSBCTSHCTSKMMP1
SCHEMBL13710937 0.86 CTSK (0.42) CTSLCTSBCTSHCTSKMMP1
SCHEMBL13711061 0.86 CTSK (0.42) CTSLCTSBCTSHCTSKMMP1
SCHEMBL3617417 0.86 CTSK (0.42) CTSLCTSBCTSHCTSKMMP1
SCHEMBL18435239 0.81 CTSK (0.44) CTSLCTSBCTSHCTSKMMP1
SCHEMBL13707911 0.81 CTSK (0.44) CTSLCTSBCTSHCTSKMMP1
SCHEMBL13707910 0.81 CTSK (0.44) CTSLCTSBCTSHCTSKMMP1
SCHEMBL31252283 0.79 CTSK (0.40) CTSLCTSBCTSHCTSKLTA4H
SCHEMBL8337764 0.79 GRN (0.46) CTSLCTSBCTSKMMP1MMP2
SCHEMBL18120817 0.78 CPB2 (0.45) CTSLCTSBCTSHCTSKMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY AILERON THERAPEUTICS, INC. 2017-02-09 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-20170037086-A1 PEPTIDOMIMETIC MACROCYCLES WITH PTH ACTIVITY PTH1R, CALCA, CALCB CTSL 181/4885CTSB 305/4885CTSH 237/4885

“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.