SCHEMBL21208545

SCHEMBL21208545

CN1CCCN(c2nc3cncnc3n3c2nc2ccccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.54
▸ HTR3B O95264 5/20 0.51
▸ HTR3A P46098 5/20 0.51
▸ HTR3E A5X5Y0 4/20 0.51
▸ HTR3D Q70Z44 4/20 0.51
▸ HTR3C Q8WXA8 4/20 0.51
▸ HTR1A P08908 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL21208502 0.85 HTR3E (0.62) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208427 0.83 HRH4 (0.52) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208503 0.80 HTR3B (0.65) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208572 0.80 HRH4 (0.59) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208593 0.80 HTR3E (0.56) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208430 0.77 HRH4 (0.37) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL8117107 0.74 HRH4 (0.70) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL21208537 0.72 EGFR (0.40) CYP1A2CYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL21208428 0.71 IKBKB (0.51) CYP1A2CYP3A4CYP2D6MEN1ALDH1A1
SCHEMBL18057503 0.71 PARP1 (0.39) HRH4MEN1ALDH1A1KMT2A

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 HRH4 4472/4885HTR3B 1460/4885HTR3A 3007/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3B 2778/4885HTR3A 4237/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HRH4 4656/4885HTR3B 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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