SCHEMBL22947097

SCHEMBL22947097

NC1(c2ccc(OC(F)(F)F)cc2)CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.47
SLC6A3 Q01959 7/20 0.47
SLC6A2 P23975 1/20 0.47
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
SCN1A P35498 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
ABL1 P00519 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
SCHEMBL22946806 0.90 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2MMP1MMP3
SCHEMBL1677166 0.88 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2KDM1ARCOR1
SCHEMBL18769588 0.84 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2KDM1ARCOR1
Hydrochloric Acid SCHEMBL18742717 0.83 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2KDM1ARCOR1
SCHEMBL18717567 0.81 SCN10A (0.48) SLC6A4SLC6A3SLC6A2KDM1ARCOR1
SCHEMBL18717557 0.77 MAOA (0.46) SLC6A4SLC6A3SLC6A2MMP1MMP3
SCHEMBL12967056 0.77 CYP3A4 (0.46) SLC6A4SLC6A3
SCHEMBL625603 0.76 MEN1 (0.51) SLC6A4SLC6A3SLC6A2MMP1MMP3
SCHEMBL14893866 0.76 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2MMP1MMP3
SCHEMBL1240436 0.74 MAOB (0.41) SLC6A3

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-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2023-09-14 US disclosed
US-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2023-09-14 US disclosed
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-04 US disclosed
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-04 US disclosed
US-20210032259-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE BOEHRINGER INGELHEIM INT (DE) 2021-02-04 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 (3 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-20230286993-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE CNP, PDE3A, PDE5A SLC6A4 4021/4885SLC6A3 3512/4885SLC6A2 3426/4885
US-20210032259-A1 CYCLIC ETHER DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYAMIDE CNP, PDE5A, PDE3A SLC6A4 3787/4885SLC6A3 3068/4885SLC6A2 2594/4885
US-11691977-B2 Cyclic ether derivatives of pyrazolo[1,5-A]pyrimidine-3-carboxyamide CNP, PDE5A, PDE3A SLC6A4 3787/4885SLC6A3 3068/4885SLC6A2 2594/4885

“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.