SCHEMBL16259685

SCHEMBL16259685

CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.44
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
HMGCR P04035 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
SCHEMBL377542 0.85 GABRA1 (0.48) GABRA1GABRB2POLBCYP1A2CYP2D6
SCHEMBL16849153 0.83 GABRA1 (0.39) PDE2AGABRA1GABRB2POLBCYP1A2
SCHEMBL10199720 0.83 GABRA1 (0.39) GABRA1GABRB2POLB
SCHEMBL15723306 0.83 GABRA1 (0.39) PDE2AGABRA1GABRB2POLBCYP1A2
SCHEMBL25767275 0.82 PDE2A (0.43) PDE2A
SCHEMBL19718414 0.81 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL7085860 0.80 GABRA1 (0.42) GABRA1GABRB2POLBCYP1A2CYP2D6
SCHEMBL16261286 0.77 GABRA1 (0.41) PDE2AGABRA1GABRB2POLB
SCHEMBL23802102 0.75 GABRA1 (0.39) PDE2AGABRA1GABRB2POLBCYP1A2
SCHEMBL16849224 0.75 GABRA1 (0.34) GABRA1GABRB2POLBCYP1A2CYP2D6

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 PDE2A 3110/4885GABRA1 277/4885GABRB2 275/4885

“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.