SCHEMBL23514589

SCHEMBL23514589

CC(C)C(C)N1CCN(C(=O)CN(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CACNA2D1 P54289 2/20 0.37
▸ CACNA1B Q00975 2/20 0.37
▸ CACNB1 Q02641 2/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ SMO Q99835 1/20 0.33

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
SCHEMBL13043878 0.85 HRH3 (0.49) HRH3KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL18713009 0.82 HRH3 (0.37) HRH3KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL27648742 0.79 CACNA2D1 (0.37) HRH3KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL20926962 0.78 KDM4E (0.40) HRH3KDM4ECACNA2D1CACNA1BCACNB1
SCHEMBL20243859 0.75 PIK3CD (0.59) KDM4ECYP2D6ALDH1A1POLBNPSR1
SCHEMBL12259084 0.75 HTR1A (0.53) KDM4EALDH1A1HTR1A
SCHEMBL4329453 0.75 KDM4E (0.45) KDM4ECACNA2D1CACNA1BCACNB1ALDH1A1
SCHEMBL27164260 0.75 KDM4E (0.41) KDM4EALDH1A1HTR1APOLBSMO
SCHEMBL4630504 0.74 ATM (0.50) KDM4EALDH1A1L3MBTL1
SCHEMBL11948185 0.74 ATM (0.44) KDM4EALDH1A1L3MBTL1

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-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 — — US disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 — — 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 (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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 HRH3 3595/4885KDM4E 834/4885CACNA2D1 3769/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 HRH3 3595/4885KDM4E 834/4885CACNA2D1 3769/4885

“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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