SCHEMBL5020919

SCHEMBL5020919

CCCCCCn1cc(CCCC(C)C)nn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.56
HRH4 Q9H3N8 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
EPHX2 P34913 1/20 0.52
CYP19A1 P11511 5/20 0.51

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
SCHEMBL19375793 1.00 GBA1 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18789724 0.98 GBA1 (0.54) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18493347 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18489275 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL22762136 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL19300362 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL19479091 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL18494157 0.96 HRH4 (0.56) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL3536093 0.94 HRH4 (0.55) GBA1HRH4HRH3EPHX2CYP19A1
SCHEMBL12265820 0.94 HRH4 (0.55) GBA1HRH4HRH3EPHX2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed
EP-2694095-B1 COMPOSITIONS COMPRISING GLUCAGON ANALOGS AND METHODS OF MAKING AND USING THE SAME LONGEVITY BIOTECH INC (US) 2018-03-07 EP disclosed
US-8399405-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2013-03-19 US disclosed
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS AILERON THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-07-05 US disclosed
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES Alleron therapeutics, Inc (US) 2012-05-10 US disclosed
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC. (US) 2012-02-16 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 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-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP GBA1 280/4885HRH4 4460/4885HRH3 3972/4885
US-20120190818-A1 TRIAZOLE MACROCYCLE SYSTEMS FLT3, VIP, NGLY1 GBA1 4570/4885HRH4 1806/4885HRH3 1158/4885
US-20120040889-A1 PEPTIDOMIMETIC MACROCYCLES ZC3HAV1, HAVCR2, ZC3HAV1L GBA1 998/4885HRH4 2978/4885HRH3 2750/4885
US-20120115783-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP GBA1 669/4885HRH4 1851/4885HRH3 2016/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 GBA1 2876/4885HRH4 3022/4885HRH3 2281/4885
US-20120172311-A1 PEPTIDOMIMETIC MACROCYCLES CCL2, TAP2, TAP1 GBA1 2752/4885HRH4 4334/4885HRH3 3879/4885

“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.