SCHEMBL1710955

SCHEMBL1710955

CCn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.50
▸ NR4A2 P43354 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ CTSS P25774 5/20 0.45
▸ CTSK P43235 5/20 0.45
▸ IDO1 P14902 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL27829195 1.00 TACR1 (0.50) TACR1NR4A2KLK5HDAC10HDAC6
SCHEMBL31236287 0.93 TACR1 (0.49) TACR1NR4A2HDAC10HDAC6CTSS
SCHEMBL1711461 0.90 CTSS (0.50) TACR1NR4A2HDAC10HDAC6CTSS
SCHEMBL31725712 0.90 CTSS (0.50) TACR1NR4A2HDAC10HDAC6CTSS
SCHEMBL2835961 0.90 CTSS (0.50) TACR1NR4A2HDAC10HDAC6CTSS
SCHEMBL2835963 0.90 CTSS (0.50) TACR1NR4A2HDAC10HDAC6CTSS
SCHEMBL1711354 0.90 CNR1 (0.47) TACR1CTSKIDO1
SCHEMBL27847752 0.90 CNR1 (0.47) TACR1CTSKIDO1
SCHEMBL16100876 0.90 TACR1 (0.46) TACR1KLK5HDAC10HDAC6CTSS
SCHEMBL16100877 0.90 TACR1 (0.46) TACR1KLK5HDAC10HDAC6CTSS

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-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 — — US disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 — — EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 — — 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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 TACR1 390/4885NR4A2 1910/4885KLK5 3894/4885

“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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