SCHEMBL21208470

SCHEMBL21208470

CN1CCCN(c2ccc3c(n2)n2c(nc4cc(F)c(F)cc42)c(=O)n3C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ HTR3A P46098 4/20 0.35
▸ HTR3E A5X5Y0 3/20 0.35
▸ HTR3B O95264 3/20 0.35
▸ HTR3D Q70Z44 3/20 0.35
▸ HTR3C Q8WXA8 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HRH4 Q9H3N8 6/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL21208473 0.88 GRM2 (0.39) CYP11B1CYP11B2GRM2ATMHTR3A
SCHEMBL21208469 0.85 CYP11B1 (0.37) CYP11B1CYP11B2GRM2ATMHTR3A
SCHEMBL21208471 0.82 HRH4 (0.45) CYP11B1CYP11B2HTR3AKDM4EPKM
SCHEMBL21217322 0.80 TNKS (0.33) ATMKDM4EPARP1RAB9A
SCHEMBL21208485 0.79 HTR3A (0.41) CYP11B1CYP11B2HTR3AHTR3EHTR3B
SCHEMBL21208513 0.78 HTR3E (0.40) GRM2HTR3AHTR3EHTR3BHTR3D
SCHEMBL19636345 0.78 KDM4E (0.40) CYP11B1CYP11B2ATMHTR3AHTR3E
SCHEMBL19636346 0.77 PARP1 (0.38) CYP11B1CYP11B2HTR3AHTR3EHTR3B
SCHEMBL21208484 0.77 HRH4 (0.36) CYP11B1CYP11B2HTR3AHTR3EHTR3B
SCHEMBL21208486 0.76 EHMT1 (0.41) CYP11B1CYP11B2HRH4

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 CYP11B1 49/4885CYP11B2 82/4885GRM2 4756/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 CYP11B1 99/4885CYP11B2 144/4885GRM2 4592/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 CYP11B1 76/4885CYP11B2 157/4885GRM2 4611/4885

“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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