SCHEMBL20695299

SCHEMBL20695299

Cc1cc(-c2ccccc2)ccc1C(=O)N1CC2(CCC(=O)N2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 3/20 0.44
▸ PDCD1LG2 Q9BQ51 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ FASN P49327 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RXRB P28702 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ OXTR P30559 1/20 0.34
▸ AVPR1A P37288 1/20 0.34

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
SCHEMBL20695396 0.91 PDCD1LG2 (0.37) GHSRPDCD1LG2CD274MGLLBRD4
SCHEMBL20695496 0.86 MGLL (0.39) PDCD1LG2CD274MGLLBRD4AVPR1A
SCHEMBL20695190 0.86 GHSR (0.43) GHSRMGLLBRD4HPGDMAPK1
SCHEMBL20695130 0.86 HTR2B (0.47) PDCD1LG2CD274LMNAALDH1A1HTR2A
SCHEMBL20695210 0.84 MAPK1 (0.50) GHSRPOLBFASNHPGDMAPK1
SCHEMBL20695389 0.84 PDCD1LG2 (0.37) PDCD1LG2CD274MGLLPOLBTSHR
SCHEMBL20695337 0.82 MAPT (0.37) PDCD1LG2CD274MGLLLMNAALDH1A1
SCHEMBL20695340 0.81 BRD4 (0.50) GHSRMGLLBRD4HPGDMAPK1
SCHEMBL20695425 0.81 PDK2 (0.33) MGLLBRD4HPGDMAPK1USP2
SCHEMBL20695312 0.81 MGLL (0.41) GHSRPDCD1LG2CD274MGLLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — EP 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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE GHSR 1876/4885PDCD1LG2 488/4885CD274 403/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE GHSR 1876/4885PDCD1LG2 488/4885CD274 403/4885

“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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