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SCHEMBL16259642

SCHEMBL16259642

CC(C)c1ccc(C(=O)N(C)CC(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HIF1A Q16665 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ PLG P00747 2/20 0.32
▸ KLK1 P06870 2/20 0.32
▸ KLK6 Q92876 2/20 0.32
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ TACR1 P25103 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ RNASEH1 O60930 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL16259646 0.84 CYP2D6 (0.41) HSP90AA1CYP2D6HSP90AB1CYP1A2HIF1A
SCHEMBL16259650 0.81 CYP2D6 (0.39) HSP90AA1CYP2D6HSP90AB1CYP1A2HIF1A
SCHEMBL16261246 0.81 SMN1; SMN2 (0.37) HSP90AA1HSP90AB1HIF1ACYP2C9PDK2
SCHEMBL10699529 0.77 CYP2C9 (0.46) CYP2D6HIF1ACYP2C9LMNARECQL
SCHEMBL16259656 0.74 CNR2 (0.41) HSP90AA1CYP2D6HSP90AB1CYP1A2HIF1A
SCHEMBL21372545 0.73 CYP2D6 (0.39) HSP90AA1CYP2D6HSP90AB1CYP1A2HIF1A
SCHEMBL16259636 0.71 BRD4 (0.39) HSP90AA1CYP2D6HSP90AB1CYP1A2HIF1A
SCHEMBL16259637 0.71 POLB (0.40) CYP2D6CYP1A2HIF1ACYP2C9CYP26A1
SCHEMBL16849230 0.70 CYP1A2 (0.38) CYP2D6CYP1A2BCHEACHE
SCHEMBL20889643 0.69 CYP2D6 (0.42) CYP2D6CYP1A2HIF1ACYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 — — US disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 — — US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 — — 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC HSP90AA1 3140/4885CYP2D6 1674/4885HSP90AB1 3052/4885

“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.