SCHEMBL20995461

SCHEMBL20995461

c1cnc(C2CCCC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
MAP4K4 O95819 1/20 0.40
CYP2C9 P11712 1/20 0.38
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPY5R Q15761 1/20 0.37
MAPT P10636 1/20 0.37
HSP90AA1 P07900 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
KMO O15229 1/20 0.34
PIM1 P11309 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL28761033 0.98 CYP11B2 (0.47) CYP11B2MAP4K4CYP2C9EPHX2L3MBTL1
SCHEMBL3135323 0.98 CYP11B2 (0.47) CYP11B2MAP4K4CYP2C9EPHX2L3MBTL1
SCHEMBL28197535 0.95 MAP4K4 (0.40) CYP11B2MAP4K4CYP2C9EPHX2L3MBTL1
SCHEMBL14250161 0.91
SCHEMBL30339210 0.91
Cyanide SCHEMBL27905672 0.84 MAP4K4 (0.36) CYP11B2MAP4K4CYP2C9EPHX2HSP90AA1
SCHEMBL2105185 0.83 NISCH (0.36) MAP4K4CYP2C9EPHX2HSP90AA1NISCH
SCHEMBL3388644 0.81 HSP90AA1 (0.39) MAP4K4CYP2C9EPHX2HSP90AA1NISCH
SCHEMBL29861886 0.81 MAPK8 (0.38) MAP4K4CYP2C9EPHX2HSP90AA1NAMPT
SCHEMBL29891608 0.81 HRH3 (0.44) NISCH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE SWITCH BIO, INC. 2025-05-22 US disclosed
US-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2025-05-15 US disclosed
US-20240317834-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2024-09-26 US disclosed
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2022-11-03 US disclosed
US-20210061873-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2021-03-04 US disclosed
US-20190161529-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES TRAMES BIO, INC. 2019-05-30 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 (6 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-20250152742-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 CYP11B2 4818/4885MAP4K4 3528/4885CYP2C9 4860/4885
US-20250163130-A1 LIGAND GATED ION CHANNELS AND METHODS OF USE CACNB2, CHRNA2, HCN3 CYP11B2 4854/4885MAP4K4 3030/4885CYP2C9 4837/4885
US-20240317834-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 CYP11B2 4818/4885MAP4K4 3528/4885CYP2C9 4860/4885
US-20210061873-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 CYP11B2 4818/4885MAP4K4 3528/4885CYP2C9 4860/4885
US-20220348635-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 CYP11B2 4818/4885MAP4K4 3528/4885CYP2C9 4860/4885
US-20190161529-A1 COMPOSITIONS AND METHODS FOR NEUROLOGICAL DISEASES CHRNB2, CHRNA2, CHRNA6 CYP11B2 4818/4885MAP4K4 3528/4885CYP2C9 4860/4885

“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.