SCHEMBL27160486

SCHEMBL27160486

O=C(c1cccc(C(F)(F)F)c1)c1ccnc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.57
CNR2 P34972 2/20 0.56
CNR1 P21554 1/20 0.54
CES2 O00748 1/20 0.54
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNE1 P15382 2/20 0.52
KCNQ1 P51787 2/20 0.52
TLR7 Q9NYK1 1/20 0.51
KCNQ5 Q9NR82 1/20 0.51
VNN1 O95497 9/20 0.51
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1237189 0.82 SRD5A2 (0.79) SRD5A2CNR2CNR1CES2VNN1
SCHEMBL18286281 0.81 KCNQ3 (0.67) SRD5A2CNR1CES2KCNQ3KCNQ2
SCHEMBL27623752 0.80 RECQL (0.47) SRD5A2
SCHEMBL39874 0.80 KCNQ3 (0.70) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4227036 0.79 KMT2A (0.57) SRD5A2CNR2CNR1
SCHEMBL28565479 0.78 SRD5A2 (0.73) SRD5A2CNR2CNR1CES2VNN1
SCHEMBL1044812 0.77 SRD5A2 (0.83) SRD5A2CNR2CNR1CES2VNN1
SCHEMBL40183 0.77 MEN1 (0.68) NPSR1
SCHEMBL16632079 0.77 VNN1 (0.48) SRD5A2CNR2CNR1VNN1
SCHEMBL2941622 0.76 SRD5A2 (0.81) SRD5A2CNR2CNR1CES2VNN1

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-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
EP-4330232-A1 GPR52 MODULATORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2024-03-06 EP disclosed
WO-2022232017-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2022-11-03 WO 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-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 SRD5A2 997/4885CNR2 30/4885CNR1 74/4885

“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.