SCHEMBL30587258

SCHEMBL30587258

O=C(OCc1ccccc1)N1C[C@@H]2NC[C@H]1[C@@H]2F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
AGTR2 P50052 5/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PARP1 P09874 1/20 0.42
PREP P48147 2/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13192046 0.90 HTR2C (0.56) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL928649 0.80 HTR2C (0.50) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL30065232 0.80 SMN1; SMN2 (0.51) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL22537068 0.75 HTR2C (0.53) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL16886902 0.73 PSEN1 (0.46) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL3335937 0.73 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL1795685 0.73 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3822619 0.73 SMN1; SMN2 (0.52) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL15541188 0.73 AGTR2 (0.52) HTR2CAGTR2PSEN1PSEN2APH1B
SCHEMBL15409979 0.73 HTR2C (0.51) HTR2CAGTR2PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289830-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2025-09-18 US disclosed
US-12351591-B2 KRas inhibitors ELI LILLY AND COMPANY (US) 2025-07-08 US disclosed
EP-4499233-A1 KRAS INHIBITORS Eli Lilly and Company (US) 2025-02-05 EP disclosed
CN-119095853-A KRAS inhibitors 伊莱利利公司 2024-12-06 CN disclosed
US-20240043451-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-02-08 US disclosed
WO-2023183585-A1 KRAS INHIBITORS ELI LILLY AND COMPANY (US) 2023-09-28 WO 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-20240043451-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HTR2C 4816/4885AGTR2 360/4885PSEN1 4268/4885
US-12351591-B2 KRas inhibitors KRAS, NRAS, HRAS HTR2C 4816/4885AGTR2 360/4885PSEN1 4268/4885
US-20250289830-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HTR2C 4816/4885AGTR2 360/4885PSEN1 4268/4885

“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.