SCHEMBL30147129

SCHEMBL30147129

CC(C)(C)OC(=O)NCc1noc([C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
HCRTR1 O43613 5/20 0.38
TSHR P16473 3/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
HCRTR2 O43614 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 4/20 0.37

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
SCHEMBL30147157 0.86 CYP1A2 (0.39) CYP1A2KMT2ACYP2D6
SCHEMBL30147144 0.83 PREP (0.42) HCRTR1HCRTR2
SCHEMBL19979716 0.81 ALDH1A1 (0.39) CYP1A2TSHREPHA2KDREPHB4
SCHEMBL19979715 0.81 ALDH1A1 (0.39) CYP1A2TSHREPHA2KDREPHB4
SCHEMBL18078162 0.76 SPHK2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL27420162 0.76 KMT2A (0.47) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL30877536 0.76 KMT2A (0.47) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL30812430 0.74 OXTR (0.39) HCRTR1TSHRHCRTR2ALDH1A1LMNA
SCHEMBL19871014 0.73 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL19871010 0.73 HCRTR1 (0.41) HCRTR1HCRTR2

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-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS ALBIUS SCIENCES ALPHA PRIVATE LIMITED (SG) 2024-10-03 US disclosed
EP-4361148-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE Albius Sciences Alpha Private Limited (SG) 2024-05-01 EP disclosed
WO-2022270628-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVE AS MEDICAL DRUG FOR TREATMENT AND/OR PREVENTION OF RS VIRUS INFECTIOUS DISEASE 国立大学法人 大分大学 2022-12-29 WO 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 (1 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-20240327392-A1 HETEROCYCLOALKYL-SUBSTITUTED POLYHETEROAZOLE DERIVATIVES AS MEDICAMENTS FOR TREATING AND/OR PREVENTING RS VIRUS INFECTIONS RSU1, TSLP, HAVCR2 CYP1A2 273/4885HCRTR1 255/4885TSHR 1783/4885

“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.