SCHEMBL23700310

SCHEMBL23700310

CN[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)NCc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.55
▸ DPP3 Q9NY33 3/20 0.51
▸ TACR1 P25103 1/20 0.51
▸ OPRM1 P35372 2/20 0.50
▸ CXCL8 P10145 5/20 0.49
▸ CCKAR P32238 1/20 0.49
▸ CCKBR P32239 1/20 0.49

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
SCHEMBL23700312 1.00 KISS1R (0.55) KISS1RDPP3TACR1OPRM1CXCL8
SCHEMBL23700429 0.95 KISS1R (0.61) KISS1ROPRM1CXCL8CCKBR
SCHEMBL23700425 0.95 KISS1R (0.61) KISS1ROPRM1CXCL8CCKBR
SCHEMBL23700449 0.94 KISS1R (0.55) KISS1RDPP3TACR1OPRM1CXCL8
SCHEMBL23700430 0.94 KISS1R (0.56) KISS1RDPP3TACR1OPRM1CXCL8
SCHEMBL23700453 0.94 KISS1R (0.55) KISS1RDPP3TACR1OPRM1CXCL8
SCHEMBL23700431 0.94 KISS1R (0.56) KISS1RDPP3TACR1OPRM1CXCL8
SCHEMBL23700428 0.93 KISS1R (0.56) KISS1RDPP3TACR1
SCHEMBL23700426 0.93 KISS1R (0.56) KISS1RDPP3TACR1
SCHEMBL23710257 0.93 KISS1R (0.56) KISS1RDPP3TACR1

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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 — — US disclosed
US-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-08-05 — — 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-20210238225-A1 PEPTIDOMIMETIC INHIBITORS OF THE PEPTIDYL-PROLYL CIS/TRANS ISOMERASE (PIN1) PIN1, PPIA, PPIE KISS1R 4542/4885DPP3 116/4885TACR1 4179/4885

“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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