SCHEMBL8051283

SCHEMBL8051283

[CH2]Cc1cccc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.50
DAO P14920 1/20 0.46
BCHE P06276 1/20 0.42
PIK3CD O00329 1/20 0.42
MAPT P10636 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLS O94925 2/20 0.40
RHEB Q15382 3/20 0.40
MAPK1 P28482 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR6 P50406 1/20 0.40
GAA P10253 1/20 0.39
MC5R P33032 1/20 0.38
MC1R Q01726 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL1962511 0.81 AHR (0.44) AHRDAOBCHEPIK3CDMAPT
SCHEMBL27894949 0.79 AHR (0.55) AHRDAOBCHEPIK3CDMAPT
SCHEMBL38665028 0.79 DAO (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL30065739 0.79 AHR (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL2633083 0.79 DAO (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL951816 0.79 AHR (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL2245672 0.79 AHR (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL29364833 0.79 AHR (0.50) AHRDAOBCHEPIK3CDMAPT
SCHEMBL7330556 0.79 MEN1 (0.62) AHRDAOMAPTCYP3A4MEN1
Hydrochloric Acid SCHEMBL3869136 0.78 AHR (0.48) AHRDAOBCHEPIK3CDMAPT

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-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-15 US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 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 (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-20230180756-A1 TRIAZINE AND PYRIMIDINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS TPMT, TYMP, TPI1 AHR 354/4885DAO 311/4885BCHE 1479/4885

“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.