SCHEMBL21208554

SCHEMBL21208554

CN1CCCN(c2ccc3nc(N4CC[C@H](F)C4)c4nc5ccccc5n4c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.45
▸ HTR3E A5X5Y0 5/20 0.41
▸ HTR3B O95264 5/20 0.41
▸ HTR3A P46098 5/20 0.41
▸ HTR3D Q70Z44 5/20 0.41
▸ HTR3C Q8WXA8 5/20 0.41
▸ PDE10A Q9Y233 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTR1A P08908 1/20 0.38
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL23919754 0.86 PDE10A (0.40) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21208611 0.85 HTR3A (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21208562 0.83 PDE10A (0.42) HRH4PDE10A
SCHEMBL21208572 0.81 HRH4 (0.59) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21208445 0.80 HTR3A (0.46) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21208569 0.78 HTR3A (0.44) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21208444 0.76 HRH4 (0.43) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21208502 0.75 HTR3E (0.62) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL21195069 0.71 PARP1 (0.51) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL17254978 0.71 TSHR (0.46) HRH4HTR3EHTR3BHTR3AHTR3D

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 4472/4885HTR3E 1219/4885HTR3B 1460/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HTR3E 2808/4885HTR3B 2778/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HRH4 4656/4885HTR3E 1936/4885HTR3B 2156/4885

“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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