SCHEMBL16259552

SCHEMBL16259552

CC(C)NC(=O)c1cc(C(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
MLYCD O95822 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
TACR1 P25103 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
USP2 O75604 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CES2 O00748 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CLPP Q16740 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11955718 0.89 NPSR1 (0.71) NPSR1MLYCDMRGPRX4TACR1RHOC
SCHEMBL15723297 0.86 NPSR1 (0.48) NPSR1MLYCDHDAC8CYP1A2CYP2C19
SCHEMBL19590526 0.85 NPSR1 (0.56) NPSR1MLYCDMRGPRX4TACR1RHOC
SCHEMBL15723326 0.83 TACR1 (0.43) NPSR1TACR1RHOCRHOAHDAC8
SCHEMBL25473381 0.83 MLYCD (0.46) NPSR1MLYCDCYP1A2CYP2C19
SCHEMBL8504003 0.83 NOTUM (0.62) NPSR1MRGPRX4TACR1RHOCRHOA
SCHEMBL16261254 0.83 NPSR1 (0.63) NPSR1MLYCDMRGPRX4RHOCRHOA
SCHEMBL13753151 0.83 NPSR1 (0.63) NPSR1MLYCDMRGPRX4USP2CYP3A4
SCHEMBL2789109 0.81 NPSR1 (0.61) NPSR1MLYCDMRGPRX4TACR1RHOC
SCHEMBL23237358 0.81 NPSR1 (0.61) NPSR1MLYCDMRGPRX4RHOCRHOA

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 NPSR1 154/4885MLYCD 4281/4885MRGPRX4 307/4885

“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.