SCHEMBL19224835

SCHEMBL19224835

CSCCCCc1cn(CCCCC(C)C)nn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.46
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 4/20 0.43
FOLH1 Q04609 1/20 0.39
EPHX2 P34913 1/20 0.39
ADRB2 P07550 1/20 0.37
CYP19A1 P11511 3/20 0.36

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
SCHEMBL18757223 0.90 GBA1 (0.44) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL22246883 0.90 GBA1 (0.44) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18757224 0.90 GBA1 (0.47) GBA1HRH4HRH3EPHX2ADRB2
SCHEMBL3435452 0.90 HRH4 (0.47) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL20364737 0.89 HRH4 (0.48) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL14648773 0.89 HRH4 (0.48) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL20099165 0.87 GBA1 (0.46) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL20364736 0.87 HRH4 (0.47) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL18160354 0.86 HRH4 (0.48) GBA1HRH4HRH3FOLH1EPHX2
SCHEMBL3434906 0.86 HRH4 (0.48) GBA1HRH4HRH3FOLH1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308699-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-06-04 US disclosed
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-08-10 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 (2 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-10308699-B2 Peptidomimetic macrocycles GHRHR, GHSR, GHITM GBA1 1351/4885HRH4 1954/4885HRH3 2166/4885
US-20170226177-A1 PEPTIDOMIMETIC MACROCYCLES GHRHR, GHSR, GHITM GBA1 1351/4885HRH4 1954/4885HRH3 2166/4885

“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.