SCHEMBL21994522

SCHEMBL21994522

[CH2]Cc1ccc(C)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KDM4C Q9H3R0 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR2C P28335 3/20 0.31
HTR1A P08908 2/20 0.31
HTR2B P41595 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL16954238 0.82 MAPT (0.42) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL27057381 0.81 CHRNB2 (0.38) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL17998791 0.81 CHRNB2 (0.38) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL16962103 0.79 PTGDR2 (0.37) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL7943104 0.76 PTGDR2 (0.50) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL16958181 0.74 CHRNB2 (0.61) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL25378664 0.73 PTGDR2 (0.33) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL16956272 0.73 DRD2 (0.47) CHRNB2CHRNA4PTGDR2NOS3NOS1
Hydrochloric Acid SCHEMBL25379559 0.72 PTGDR2 (0.33) CHRNB2CHRNA4PTGDR2NOS3NOS1
SCHEMBL2913534 0.71 SLC6A2 (0.42) PTGDR2SLC6A2SLC6A4SLC6A3HTR2C

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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-23 US disclosed
EP-3887362-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-06 EP disclosed
WO-2020109391-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-04 WO 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-20230165252-A1 ACTIVE COMPOUND COMBINATIONS CYP51A1, ERG28, BROX CHRNB2 4807/4885CHRNA4 4825/4885PTGDR2 4649/4885
US-20230054449-A1 PYRIDAZINE (THIO)AMIDES AS FUNGICIDAL COMPOUNDS PNPO, TPMT, BLVRB CHRNB2 4717/4885CHRNA4 4604/4885PTGDR2 2647/4885

“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.