SCHEMBL21208427

SCHEMBL21208427

CN1CCCN(c2nc3cc(Cl)cnc3n3c2nc2ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 11/20 0.52
▸ HRH3 Q9Y5N1 4/20 0.49
▸ HTR3A P46098 5/20 0.49
▸ HTR3B O95264 4/20 0.49
▸ HTR3E A5X5Y0 3/20 0.49
▸ HTR3D Q70Z44 3/20 0.49
▸ HTR3C Q8WXA8 3/20 0.49
▸ HTR1A P08908 1/20 0.43
▸ HTR2C P28335 1/20 0.43

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 0.84 HTR3E (0.62) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL21208545 0.83 HRH4 (0.54) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL21208503 0.79 HTR3B (0.65) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL21208593 0.78 HTR3E (0.56) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL21208572 0.78 HRH4 (0.59) HRH4HRH3HTR3AHTR3BHTR3E
SCHEMBL21208431 0.78 PTPN11 (0.38) HRH4
SCHEMBL8117107 0.75 HRH4 (0.70) HRH4HRH3HTR3AHTR3BHTR3E
SCHEMBL21208480 0.74 TYMS (0.47) —
SCHEMBL21208536 0.72 IKBKB (0.54) HRH3
SCHEMBL21208524 0.72 KDM4E (0.39) —

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 4472/4885HRH3 4559/4885HTR3A 3007/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885HRH3 4489/4885HTR3A 4237/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 HRH4 4656/4885HRH3 4688/4885HTR3A 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.

Send feedback