SCHEMBL25887368

SCHEMBL25887368

CCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ DGAT1 O75907 3/20 0.34
▸ GRM2 Q14416 3/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ CHRNB1 P11230 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNB3 Q05901 1/20 0.33
▸ GRIN1 Q05586 4/20 0.32
▸ GRIN2B Q13224 4/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ P2RY14 Q15391 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DRD3 P35462 1/20 0.31
▸ BMPR1B O00238 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVR1B P36896 1/20 0.31
▸ ACVRL1 P37023 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
SCHEMBL30989696 1.00 POLB (0.42) POLBDGAT1GRM2DRD2DRD4
SCHEMBL31194302 0.93 POLB (0.35) POLBDGAT1GRIN1GRIN2B
SCHEMBL29904932 0.90 POLB (0.47) POLBGRM2DRD2DRD4KCNH2
SCHEMBL17844042 0.90 POLB (0.47) POLBGRM2DRD2DRD4KCNH2
SCHEMBL20165434 0.90 POLB (0.46) POLBCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL20628370 0.88 POLB (0.43) POLBGRM2DRD2DRD4KCNH2
SCHEMBL25887465 0.88 NTRK1 (0.31) POLBGRIN1GRIN2B
SCHEMBL30989675 0.88 NTRK1 (0.31) POLBGRIN1GRIN2B
SCHEMBL25314531 0.86 AKT1 (0.33) GRIN1GRIN2BBMPR1BBMPR1AACVR1B
SCHEMBL17858044 0.86 POLB (0.46) POLBGRM2DRD2DRD4DRD3

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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 — — US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 — — 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 (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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR POLB 3988/4885DGAT1 4685/4885GRM2 4073/4885

“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.

Send feedback