SCHEMBL22891209

SCHEMBL22891209

CC(C)(C)CC(=O)N1CCC(C(=O)N2CCNCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
CHRNB3 Q05901 1/20 0.59
CHRNA6 Q15825 1/20 0.59
KDM4E B2RXH2 1/20 0.44
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL1829291 0.85 CA2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18909225 0.83 CHRNB2 (0.70) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22599858 0.82 TP53 (0.44) KDM4EHPGDTP53RECQLALDH1A1
SCHEMBL27022696 0.80 TP53 (0.45) KDM4EHPGDTP53RECQLALDH1A1
SCHEMBL24521510 0.80 CHRNB2 (0.65) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22030932 0.79 CA2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25133383 0.79 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27109077 0.78 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22030503 0.78 GNAI3 (0.43) ITGB3ITGA2BSIGMAR1GNAI3GNAO1
SCHEMBL17282134 0.78 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 US disclosed
US-20220204517-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2022-06-30 US disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 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 (6 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 CHRNB2 4868/4885CHRNA3 4867/4885CHRNA4 4884/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CHRNB2 4850/4885CHRNA3 4864/4885CHRNA4 4883/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CHRNB2 807/4885CHRNA3 1401/4885CHRNA4 1990/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 CHRNB2 4868/4885CHRNA3 4867/4885CHRNA4 4884/4885
US-20220204517-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 CHRNB2 722/4885CHRNA3 921/4885CHRNA4 1006/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 CHRNB2 4850/4885CHRNA3 4864/4885CHRNA4 4883/4885

“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.