SCHEMBL14903256

SCHEMBL14903256

O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.45
▸ CTRB1 P17538 1/20 0.42
▸ DPP3 Q9NY33 5/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ REN P00797 1/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ NTMT1 Q9BV86 1/20 0.40
▸ CTSC P53634 1/20 0.39

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
SCHEMBL14903396 1.00 TACR1 (0.45) TACR1CTRB1DPP3HRH4REN
SCHEMBL18933192 0.92 CTRB1 (0.42) TACR1CTRB1RENNTMT1CTSC
SCHEMBL14906464 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL6878588 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL6876603 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL6880524 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL6876472 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL14906471 0.91 CTRB1 (0.48) TACR1CTRB1RENCTSC
SCHEMBL6880238 0.90 DPP3 (0.53) TACR1DPP3OPRM1
SCHEMBL6877616 0.90 DPP3 (0.53) TACR1DPP3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

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-20170157204-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP TACR1 81/4885CTRB1 1251/4885DPP3 300/4885
US-20130108655-A1 CYCLIC TETRAPEPTIDES AND THERAPEUTIC APPLICATIONS THEREOF PNISR, APLNR, VIP TACR1 81/4885CTRB1 1251/4885DPP3 300/4885

“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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