SCHEMBL1370995

SCHEMBL1370995

O=C1CC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NC(=O)C2CCCCN2)N1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRHR P34981 4/20 0.41
▸ HDAC3 O15379 5/20 0.40
▸ HDAC11 Q96DB2 5/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC10 Q969S8 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ CTSC P53634 1/20 0.36

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
SCHEMBL27504186 0.97 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL27448785 0.88 TRHR (0.37) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL7649422 0.85 TRHR (0.43) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11816929 0.85 TRHR (0.38) TRHRHDAC3HDAC11HDAC6HDAC1
SCHEMBL11034489 0.83 TRHR (0.44) TRHR
SCHEMBL29405912 0.81 TRHR (0.46) TRHR
SCHEMBL6026783 0.81 TRHR (0.46) TRHR
SCHEMBL27869228 0.81 TRHR (0.46) TRHR
SCHEMBL6026780 0.81 TRHR (0.46) TRHR
SCHEMBL11231582 0.81 TRHR (0.41) TRHRHDAC3HDAC11HDAC6HDAC1

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
JP-56059714-A — — None — — JP disclosed
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-4299821-A HYPOTHERMIC AGENTS, TREATMENT OF NARCOLEPSY RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1981-11-10 — — US disclosed
JP-S5659714-A IMPROVER AND REMEDY FOR DYSBULIA OR DEPRESSION TANABE SEIYAKU CO LTD 1981-05-23 — — JP disclosed
US-3959248-A TRIPEPTIDES; ANTIDEPRESSANTS MERCK & CO., INC. (US) 1976-05-25 — — 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 (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 TRHR 1177/4885HDAC3 3530/4885HDAC11 3232/4885
US-20110288011-A1 PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF VIP, SLC1A5, SLC47A1 TRHR 1177/4885HDAC3 3530/4885HDAC11 3232/4885

“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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