SCHEMBL21232558

SCHEMBL21232558

NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 10/20 0.87
▸ AVPR1A P37288 7/20 0.87
▸ AVPR2 P30518 5/20 0.87
▸ AVPR1B P47901 5/20 0.87
▸ PTGS1 P23219 1/20 0.87
▸ TBXA2R P21731 1/20 0.80
▸ PDE4D Q08499 1/20 0.80
▸ PDE3A Q14432 1/20 0.80

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
Desmopressin SCHEMBL5943392 0.94 OXTR (0.77) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL7623173 0.94 OXTR (0.77) OXTRAVPR1AAVPR2AVPR1BPTGS1
Lypressin SCHEMBL33287 0.94 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1BPTGS1
Lypressin SCHEMBL1650587 0.94 OXTR (0.87) OXTRAVPR1AAVPR2AVPR1BPTGS1
SCHEMBL23382246 0.93 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL2687079 0.93 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL21131126 0.93 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL10053268 0.93 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL22511 0.93 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1BPTGS1
Desmopressin SCHEMBL15933169 0.93 OXTR (0.85) OXTRAVPR1AAVPR2AVPR1BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993984-B2 Terlipressin compositions and their methods of use CHIASMA, INC. (US) 2021-05-04 — — US disclosed
US-20190240284-A1 TERLIPRESSIN COMPOSITIONS AND THEIR METHODS OF USE AMRYT PHARMACEUTICALS INC. 2019-08-08 — — 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-10993984-B2 Terlipressin compositions and their methods of use PNLIP, LIPC, LIPA OXTR 2352/4885AVPR1A 309/4885AVPR2 114/4885
US-20190240284-A1 TERLIPRESSIN COMPOSITIONS AND THEIR METHODS OF USE PNLIP, LIPC, LIPA OXTR 2352/4885AVPR1A 309/4885AVPR2 114/4885

“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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