SCHEMBL19658016

SCHEMBL19658016

CCc1c(C(C)C)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
P2RX7 Q99572 1/20 0.46
SLC6A2 P23975 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL19010597 0.83 PDE2A (0.39) GABRA1GABRG2GABRB3P2RX7RORC
SCHEMBL12313392 0.82 TAAR1 (0.43) GABRA1P2RX7SLC6A2GABRB2HSD11B1
SCHEMBL18469082 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3SLC6A2CYP1A2
SCHEMBL11148941 0.79 TAAR1 (0.39) GABRA1P2RX7SLC6A2HPGDLMNA
SCHEMBL22697021 0.78 PDE2A (0.38) GABRA1GABRG2GABRB3P2RX7RORC
SCHEMBL22519417 0.76 PDE2A (0.37) GABRA1GABRG2GABRB3P2RX7RORC
SCHEMBL84477 0.76 P2RX7 (0.50) GABRA1GABRG2GABRB3P2RX7SLC6A2
SCHEMBL24911005 0.75 CA2 (0.41) GABRA1P2RX7SLC6A2CA2TSHR
SCHEMBL5407429 0.75 SLC6A2 (0.43) P2RX7SLC6A2CYP3A4HSD11B1RORC
SCHEMBL13856265 0.75 TAAR1 (0.39) GABRA1P2RX7GABRB2TRPV1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
US-20170340610-A1 RORgammaT INHIBITORS MERCK SHARP & DOHME LLC 2017-11-30 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-20170340610-A1 RORgammaT INHIBITORS RORB, RORC, RORA GABRA1 210/4885GABRG2 138/4885GABRB3 206/4885

“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.