SCHEMBL20504270

SCHEMBL20504270

O=C(c1ncc(Br)cc1F)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.36
▸ CCR2 P41597 2/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ GRIN2B Q13224 3/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ ACACB O00763 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL23581040 0.80 PLAU (0.39) ABL1BACE1
SCHEMBL29611180 0.79 HPGD (0.46) —
SCHEMBL1661495 0.77 KDM4E (0.42) BACE1DGAT1
SCHEMBL17680850 0.77 OPRK1 (0.36) ABL1OPRK1
SCHEMBL29675197 0.76 SMYD3 (0.48) BACE1
SCHEMBL24626551 0.76 SMYD3 (0.48) BACE1
Hydrochloric Acid SCHEMBL13729434 0.75 KDM4E (0.41) BACE1DGAT1
SCHEMBL29465147 0.75 DGAT1 (0.35) BACE1ACACBDGAT1OPRK1
SCHEMBL10081962 0.75 DGAT1 (0.35) BACE1ACACBDGAT1OPRK1
SCHEMBL1629161 0.75 DGAT1 (0.47) BACE1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 — — US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 — — EP disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 — — EP disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 — — US disclosed
EP-3377482-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-09-26 — — 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA CCR1 307/4885CCR2 802/4885ABL1 2725/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA CCR1 307/4885CCR2 802/4885ABL1 2725/4885

“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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