SCHEMBL997815

SCHEMBL997815

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
GAA P10253 1/20 0.74
RAB9A P51151 15/20 0.73
NPC1 O15118 13/20 0.73
CASP3 P42574 1/20 0.73
SENP8 Q96LD8 1/20 0.73
SENP7 Q9BQF6 1/20 0.73
SENP6 Q9GZR1 1/20 0.73
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 1/20 0.68
GPR142 Q7Z601 1/20 0.67
TAS1R3 Q7RTX0 2/20 0.66
TAS1R1 Q7RTX1 2/20 0.66
TAS1R2 Q8TE23 2/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.65
MAPK1 P28482 1/20 0.63
ATM Q13315 1/20 0.62
LMNA P02545 1/20 0.61

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
SCHEMBL25215660 0.87 GPR142 (0.71) KMT2AMEN1GAARAB9ANPC1
SCHEMBL30378238 0.87 GPR142 (0.64) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25574626 0.87 GPR142 (0.64) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25203241 0.87 GPR142 (0.64) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25211440 0.87 GPR142 (0.71) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25212955 0.86 NPC1 (0.58) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25243755 0.86 TRPV1 (0.60) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25208411 0.86 KMT2A (0.65) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25574412 0.86 KMT2A (0.65) KMT2AMEN1GAARAB9ANPC1
SCHEMBL25234074 0.85 GPR142 (0.68) KMT2AMEN1GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US claimed
EP-4161643-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-04-12 EP claimed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
EP-4161643-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-04-12 EP disclosed
WO-2021245426-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2021-12-09 WO disclosed
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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 (2 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KMT2A 2539/4885MEN1 1017/4885GAA 1007/4885
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 GPR3, GPR65, GPR52 KMT2A 2819/4885MEN1 4615/4885GAA 4433/4885

“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.