SCHEMBL23323956

SCHEMBL23323956

CC(C)NCCN1CCN(C(=O)N(C)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTR1A P08908 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT8 Q9NR22 1/20 0.32

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
SCHEMBL4569286 0.80 PIK3CD (0.55) CYP2C19SMN1; SMN2TP53ALDH1A1PIK3CD
SCHEMBL25953833 0.80 CYP2C19 (0.39) CYP2C19SMN1; SMN2TP53ALDH1A1HTR1A
SCHEMBL23323952 0.78 HRH3 (0.38) CYP2C19ALDH1A1HTR1APIK3CDHRH3
SCHEMBL25736046 0.77 CARM1 (0.48) CYP2C19SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL22152624 0.76 KDM4E (0.44) ALDH1A1HTR1APIK3CD
SCHEMBL15160801 0.76 CYP2C19 (0.47) CYP2C19SMN1; SMN2TP53ALDH1A1PIK3CD
SCHEMBL25910374 0.75 HTR1A (0.45) CYP2C19ALDH1A1HTR1APIK3CDHRH3
SCHEMBL25908071 0.74 HRH3 (0.36) CYP2C19ALDH1A1HTR1APIK3CDHRH3
SCHEMBL25909255 0.74 HRH3 (0.36) CYP2C19ALDH1A1HTR1APIK3CDHRH3
SCHEMBL25906114 0.74 HRH3 (0.36) CYP2C19ALDH1A1HTR1APIK3CDHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234929-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 — — US disclosed
US-11566007-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-01-31 — — US disclosed
US-20210130303-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2021-05-06 — — 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-11566007-B2 Ras inhibitors KRAS, NRAS, HRAS CYP2C19 3930/4885SMN1; SMN2 3728/4885TP53 9/4885
US-20230234929-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 3930/4885SMN1; SMN2 3728/4885TP53 9/4885
US-20210130303-A1 RAS INHIBITORS KRAS, NRAS, HRAS CYP2C19 3930/4885SMN1; SMN2 3728/4885TP53 9/4885

“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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