SCHEMBL23713149

SCHEMBL23713149

CC(=O)N1CCC(C(=O)N2C[C@@H](Cc3ccccc3)[C@H](c3ccc(-c4c(F)cccc4F)cc3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 1.00
TACR1 P25103 6/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TACR2 P21452 1/20 0.43
TACR3 P29371 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL20149105 0.88 RORC (1.00) RORC
SCHEMBL20149104 0.83 RORC (0.71) RORCTACR1CYP3A4CYP2D6CYP2C9
SCHEMBL23713117 0.81 RORC (1.00) RORCTACR1CYP3A4CYP2D6CYP2C9
SCHEMBL20149107 0.76 RORC (1.00) RORCTACR3CCR5
SCHEMBL23713050 0.75 RORC (1.00) RORC
SCHEMBL23713020 0.73 RORC (1.00) RORCCCR5
SCHEMBL15751781 0.73 RORC (0.57) RORCTACR1CYP3A4CYP2D6CYP2C9
SCHEMBL20139701 0.72 RORC (0.65) RORCCCR5
SCHEMBL20139698 0.72 RORC (0.65) RORCCCR5
SCHEMBL20149057 0.70 RORC (1.00) RORCTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078186-B2 ROR γ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 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-11078186-B2 ROR γ modulators RORB, RORC, RORA RORC 2/4885TACR1 1939/4885CYP3A4 273/4885

“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.