SCHEMBL4841887

SCHEMBL4841887

CC(C)(C)OC(=O)CCCOc1cccc(CCN)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HPGD P15428 1/20 0.42
KCNH2 Q12809 3/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
CYP2D6 P10635 4/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL4832994 0.94 ACHE (0.50) ACHETAAR1KCNH2PPARGPPARA
SCHEMBL7643204 0.86 ACHE (0.52) ACHETAAR1PPARGPPARA
SCHEMBL21577271 0.81 CHRNB2 (0.51) CNR1CNR2
SCHEMBL4840291 0.81 RAB9A (0.50) HPGD
SCHEMBL13986556 0.80 SMN1; SMN2 (0.58) HPGDCYP2D6
SCHEMBL23231470 0.79 HDAC1 (0.56) TAAR1PPARGPPARA
SCHEMBL4833474 0.79 ALDH1A1 (0.53)
SCHEMBL30696861 0.79 PLA2G4B (0.61) PPARGPPARA
SCHEMBL24675190 0.79 KDM4E (0.42)
SCHEMBL22326304 0.78 PLA2G4B (0.48) CYP2D6CNR1CNR2

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
CN-102746214-A Novel indoline compounds FOURNIER LAB SA 2012-10-24 CN disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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 (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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 ACHE 16/4885TAAR1 509/4885HPGD 3316/4885

“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.