SCHEMBL22040181

SCHEMBL22040181

C[C@H]1CCC(c2ccc(F)c(Cl)c2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 2/20 0.41
▸ PTGS2 P35354 5/20 0.40
▸ GRM2 Q14416 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PTGS1 P23219 2/20 0.37
▸ PGR P06401 2/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ TAS1R2 Q8TE23 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35

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
SCHEMBL22039759 1.00 NISCH (0.41) NISCHPTGS2GRM2HTR2APTGS1
SCHEMBL22039488 0.85 CYP11B2 (0.36) PTGS2GRM2PTGS1TAS1R3TAS1R1
SCHEMBL23878330 0.85 CYP11B2 (0.36) PTGS2GRM2PTGS1TAS1R3TAS1R1
SCHEMBL28714501 0.80 NISCH (0.39) NISCHADRA2AADRA2B
SCHEMBL20835774 0.77 KMO (0.43) NISCHPTGS2PTGS1CYP11B1CYP11B2
SCHEMBL22040133 0.76 NOS3 (0.38) PTGS2PTGS1
SCHEMBL22040850 0.76 NOS3 (0.38) PTGS2PTGS1
SCHEMBL22039704 0.76 NOS3 (0.38) PTGS2PTGS1
SCHEMBL22040809 0.75 NOS3 (0.36) NISCH
SCHEMBL23878350 0.75 NOS3 (0.36) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220087996-A1 Histone acetylase p300 inhibitor and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-03-24 — — US disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 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 (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-20220087996-A1 Histone acetylase p300 inhibitor and use thereof EP300, HDAC1, HDAC11 NISCH 3899/4885PTGS2 3609/4885GRM2 4796/4885

“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.

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