SCHEMBL6878497

SCHEMBL6878497

O=C(O)C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 7/20 0.51
▸ CTRB1 P17538 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CTSC P53634 1/20 0.44
▸ PSMB9 P28065 1/20 0.44

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
SCHEMBL6880163 1.00 REN (0.51) RENCTRB1OPRM1OPRD1OPRK1
SCHEMBL6879220 0.89 CTRB1 (0.49) RENCTRB1CTSC
SCHEMBL6880651 0.89 CTRB1 (0.49) RENCTRB1CTSC
SCHEMBL31609177 0.89 REN (0.53) RENOPRM1OPRD1OPRK1PSMB9
SCHEMBL29484185 0.87 ALDH1A1 (0.50) RENCTRB1CTSC
SCHEMBL6878588 0.86 CTRB1 (0.48) RENCTRB1CTSC
SCHEMBL14906471 0.86 CTRB1 (0.48) RENCTRB1CTSC
SCHEMBL6880524 0.86 CTRB1 (0.48) RENCTRB1CTSC
SCHEMBL6876603 0.86 CTRB1 (0.48) RENCTRB1CTSC
SCHEMBL6876472 0.86 CTRB1 (0.48) RENCTRB1CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10238713-B2 Cyclic tetrapeptides and therapeutic applications thereof LODZ UNIVERSITY OF TECHNOLOGY (PL) 2019-03-26 — — US disclosed
US-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2017-06-08 — — US disclosed
US-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2017-06-08 — — US disclosed
EP-2536732-B1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP Z O O (PL) 2016-10-19 — — EP disclosed
US-9382292-B2 Cyclic tetrapeptides and therapeutic applications thereof PEPTADERM SP. Z O.O. (PL) 2016-07-05 — — US disclosed
US-9382292-B2 Cyclic tetrapeptides and therapeutic applications thereof PEPTADERM SP. Z O.O. (PL) 2016-07-05 — — US disclosed
US-20130224232-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2013-08-29 — — US disclosed
US-20130224232-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF LODZ UNIVERSITY OF TECHNOLOGY (PL) 2013-08-29 — — US disclosed
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP. Z O.O. (PL) 2013-05-02 — — US disclosed
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP. Z O.O. (PL) 2013-05-02 — — US disclosed
WO-2011103524-A2 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PEPTADERM SP.Z.O.O. (PL) 2011-08-25 — — 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 (4 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-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP REN 119/4885CTRB1 1251/4885OPRM1 1275/4885
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP REN 119/4885CTRB1 1251/4885OPRM1 1275/4885
US-10238713-B2 Cyclic tetrapeptides and therapeutic applications thereof PNISR, APLNR, VIP REN 119/4885CTRB1 1251/4885OPRM1 1275/4885
US-20130224232-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, VIP, APLNR REN 85/4885CTRB1 956/4885OPRM1 1208/4885

“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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