SCHEMBL1372348

SCHEMBL1372348

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.57
▸ KMT2A Q03164 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ TSHR P16473 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GFER P55789 1/20 0.50
▸ PRCP P42785 1/20 0.50
▸ CTSK P43235 3/20 0.49
▸ CTSL P07711 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ PREP P48147 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL1372342 1.00 CTRB1 (0.57) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL10784995 0.97 CTRB1 (0.54) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL24322559 0.93 CTRB1 (0.58) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL5859001 0.90 CTRB1 (0.56) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL7078577 0.90 CTRB1 (0.55) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL11448912 0.90 CTRB1 (0.55) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL27280340 0.87 CTRB1 (0.60) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL11450738 0.87 CTRB1 (0.64) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL11167632 0.87 CTRB1 (0.64) CTRB1KMT2ANPSR1TSHRL3MBTL1
SCHEMBL7106091 0.87 CTRB1 (0.64) CTRB1KMT2ANPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC (CA) 2016-09-15 — — US disclosed
EP-2794663-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF Angiochem Inc. (CA) 2014-10-29 — — EP disclosed
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2011-11-24 — — US disclosed
WO-2010063124-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF ANGIOCHEM INC. (CA) 2010-06-10 — — WO disclosed
US-4416871-A Inhibition by peptides of tolerance to and physical dependence on morphine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-11-22 — — US disclosed
EP-0016136-A1 INHIBITION BY PEPTIDES OF TOLERANCE TO AND DEPENDENCE ON MORPHINE University of Illinois Foundation (US) 1980-10-01 — — EP disclosed
WO-1980000216-A1 INHIBITION BY PEPTIDES OF TOLERANCE TO AND DEPENDENCE ON MORPHINE UNIV ILLINOIS (US) 1980-02-21 — — WO 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 (2 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-20160263235-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 CTRB1 781/4885KMT2A 3365/4885NPSR1 247/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 CTRB1 781/4885KMT2A 3365/4885NPSR1 247/4885

“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.

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