SCHEMBL4446356

SCHEMBL4446356

O=C(CO)C1(c2cccc(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
HSD11B1 P28845 2/20 0.43
CCR2 P41597 1/20 0.43
SLC6A2 P23975 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
KCNA3 P22001 1/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL28618128 0.82 CCR2 (0.47) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL301985 0.81 MEN1 (0.56) SLC6A4SLC6A3HSD11B1CCR2MEN1
SCHEMBL4833194 0.81 HSD11B1 (0.47) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL7369535 0.80 SLC6A4 (0.44) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL20329719 0.79 CCR2 (0.48) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL12002886 0.79 PARP1 (0.47) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL5007609 0.79 HSD11B1 (0.53) HSD11B1KMT2A
SCHEMBL4555582 0.78 AKR1C1 (0.53) SLC6A4HSD11B1MEN1KMT2A
SCHEMBL5846444 0.77 ICMT (0.45) SLC6A4SLC6A3HSD11B1CCR2SLC6A2
SCHEMBL4435074 0.76 AKR1C3 (0.49) SLC6A4SLC6A3CCR2SLC6A2HDAC3

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
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 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-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE SLC6A4 2916/4885SLC6A3 2680/4885HSD11B1 3386/4885

“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.