SCHEMBL22181776

SCHEMBL22181776

CCc1cccc(OC(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.47
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
PDE10A Q9Y233 1/20 0.40
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
KCNH2 Q12809 1/20 0.32
RXRA P19793 3/20 0.32
ADORA2A P29274 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
PARP1 P09874 1/20 0.32
CXCR4 P61073 1/20 0.32
GRM5 P41594 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL19122774 0.83 ADORA2A (0.40) MBOAT4PDE10AKCNH2ADORA2ATRPV3
SCHEMBL30242161 0.81 MBOAT4 (0.47) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL4535681 0.81 MBOAT4 (0.44) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL4538300 0.81 MBOAT4 (0.47) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL30988762 0.81 MBOAT4 (0.44) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL20350293 0.81 MCHR1 (0.41) MBOAT4HCRTR1HCRTR2KCNH2TRPV3
SCHEMBL19121827 0.80 MCHR1 (0.37) MBOAT4HCRTR1HCRTR2KCNH2ADORA2A
SCHEMBL27929261 0.79 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2PDE10AGRIN1
SCHEMBL19122526 0.77 TRPV3 (0.35) MBOAT4HCRTR1HCRTR2ADORA2ATRPV3
SCHEMBL217520 0.76 KDM1A (0.45) PDE10AKCNH2ADORA2APARP1CXCR4

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-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity ANNAPURNA BIO, INC. (US) 2023-08-15 US disclosed
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-23 US disclosed
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2020-07-02 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 (4 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-11724997-B2 Compounds and compositions for treating conditions associated with APJ receptor activity APLNR, AGTR1, AGTR2 MBOAT4 2947/4885HCRTR1 347/4885HCRTR2 442/4885
US-20200207726-A1 INDOLINYL SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORA, RORC, RORB MBOAT4 3267/4885HCRTR1 334/4885HCRTR2 304/4885
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT SIRT6, SIRT1, SIRT2 MBOAT4 2972/4885HCRTR1 3491/4885HCRTR2 3720/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP MBOAT4 116/4885HCRTR1 422/4885HCRTR2 555/4885

“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.