SCHEMBL19008535

SCHEMBL19008535

Cc1cnc2ccc(C(C)(C)C)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CCR1 P32246 2/20 0.44
CCR5 P51681 2/20 0.44
CCR8 P51685 2/20 0.44
TSHR P16473 1/20 0.40
SCN10A Q9Y5Y9 4/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDE10A Q9Y233 1/20 0.38
METAP2 P50579 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK1D P48730 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL4548632 0.86 SCN10A (0.42) CYP1A2SCN10AKCNH2ALDH1A1TRPV1
SCHEMBL23479219 0.85 ALDH1A1 (0.47) CYP1A2CCR1CCR5CCR8TSHR
SCHEMBL14378414 0.85 CYP1A2 (0.53) CYP1A2CCR1CCR5CCR8TSHR
SCHEMBL12909564 0.84 CYP1A2 (0.52) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL7733556 0.80 SCN10A (0.41) TSHRSCN10AKCNH2ALDH1A1TRPV1
SCHEMBL21863358 0.80 SCN10A (0.38) CYP1A2SCN10AKCNH2ALDH1A1TRPV1
SCHEMBL24654867 0.80 KIF11 (0.42) SCN10AKCNH2TRPV1PDE10AMETAP2
SCHEMBL4572536 0.80 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL14072411 0.77 SCN10A (0.39) SCN10AKCNH2ALDH1A1TRPV1PDE10A
SCHEMBL15831601 0.77 CYP1A2 (0.35) CYP1A2CCR1CCR5CCR8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 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 (3 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-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD CYP1A2 738/4885CCR1 4521/4885CCR5 4051/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CCR1 4485/4885CCR5 4295/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CCR1 4485/4885CCR5 4295/4885

“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.