SCHEMBL2886641

SCHEMBL2886641

O=C(O)c1ccc(OCC2CCCCO2)cc1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
NPC1 O15118 7/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.57
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL417902 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL417903 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL565748 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29051144 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29051150 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2443725 0.91 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8472269 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3019067 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2453027 0.87 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2449725 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
CN-101006091-B Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND 2010-09-15 CN disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
CN-101006091-A Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI AVENTIS DEUTSCHLAND (DE) 2007-07-25 CN 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT RAB9A 3902/4885NPC1 814/4885SMN1; SMN2 3283/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT RAB9A 3902/4885NPC1 814/4885SMN1; SMN2 3283/4885

“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.