SCHEMBL4757295

SCHEMBL4757295

O=C(c1ccccc1Cl)c1ccccc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORB Q92753 10/20 0.51
RORC P51449 6/20 0.51
TACR1 P25103 2/20 0.42
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
TSHR P16473 1/20 0.39
PTGER4 P35408 1/20 0.38

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
SCHEMBL4708172 0.94 RORB (0.46) RORBRORCTACR1GRM2
SCHEMBL4707011 0.89 IDO1 (0.44) TACR1ALDH1A1GAAIDO1TDO2
SCHEMBL4707172 0.88 RORB (0.46) RORBRORCGRM2ALDH1A1GAA
SCHEMBL4708046 0.88 RORB (0.42) RORBRORCTACR1GRM2
SCHEMBL4707969 0.88 CDC7 (0.42) RORBRORCTACR1GRM2ALDH1A1
SCHEMBL4707650 0.87 RORB (0.41) RORBRORCGRM2ALDH1A1GAA
SCHEMBL4708690 0.87 RORB (0.40) RORBRORCTACR1ALDH1A1GAA
SCHEMBL4705384 0.86 TACR1 (0.39) RORBRORCTACR1ALDH1A1GAA
SCHEMBL4707863 0.86 IDH1 (0.44) RORBRORCTACR1GRM2
SCHEMBL4638919 0.85 TACR1 (0.48) RORBRORCTACR1GRM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134843-A1 TREATMENT OF STEM CELL DEFICIENCY OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-05-04 US disclosed
US-20230134843-A1 TREATMENT OF STEM CELL DEFICIENCY OSPEDALE SAN RAFFAELE S.R.L. (IT) 2023-05-04 US disclosed
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OSPEDALE SAN RAFFAELE S.R.L. (IT) 2021-01-21 US disclosed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 RORB 2614/4885RORC 2723/4885TACR1 1/4885
US-20230134843-A1 TREATMENT OF STEM CELL DEFICIENCY KIT, TACR1, MRGPRX2 RORB 664/4885RORC 824/4885TACR1 2/4885
US-20210015834-A1 NK-1 ANTAGONISTS FOR USE IN THE TREATMENT OF OCULAR PAIN OPRK1, OPRL1, KLKB1 RORB 1923/4885RORC 2315/4885TACR1 18/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 RORB 3261/4885RORC 4019/4885TACR1 119/4885

“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.