SCHEMBL21208513

SCHEMBL21208513

CN1CCCN(c2ccc3c(n2)n2c(cc4cc(F)ccc42)c(=O)n3C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.40
▸ HTR3B O95264 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ HTR3D Q70Z44 3/20 0.40
▸ HTR3C Q8WXA8 3/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ PARP1 P09874 3/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL21208514 0.90 METAP2 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208553 0.87 PLK1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208510 0.84 PARP1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208550 0.80 THRB (0.37) PLK1PARP1TNKSTNKS2ALDH1A1
SCHEMBL21208548 0.79 HTR3A (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208470 0.78 CYP11B1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208451 0.77 HTR3A (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208509 0.76 EZH2 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208448 0.75 HRH4 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208507 0.69 PLK1 (0.38) PLK1THRB

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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 HTR3E 1219/4885HTR3B 1460/4885HTR3A 3007/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HTR3E 2808/4885HTR3B 2778/4885HTR3A 4237/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HTR3E 1936/4885HTR3B 2156/4885HTR3A 3745/4885

“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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