SCHEMBL216865

SCHEMBL216865

Cc1cc(OC2CCN(C(=O)O)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
EPHX2 P34913 3/20 0.42
HRH3 Q9Y5N1 7/20 0.41
SRD5A1 P18405 1/20 0.41
PLA2G1B P04054 1/20 0.41
POLB P06746 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ACACB O00763 2/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6341704 0.89 EPHX2 (0.42) EPHX2HRH3SRD5A1PLA2G1BPOLB
SCHEMBL216274 0.87 SRD5A1 (0.43) EPHX2HRH3SRD5A1SRD5A2
SCHEMBL215117 0.84 HRH1 (0.49) EPHX2HRH3
SCHEMBL12485444 0.84 GPR119 (0.46) EPHX2HRH3SRD5A1ACACBSRD5A2
SCHEMBL215713 0.84 GPR119 (0.57) HRH3
Hydrochloric Acid SCHEMBL9013879 0.83 GPR119 (0.56) HRH3
SCHEMBL309611 0.81 SMN1; SMN2 (0.55) MEN1KMT2A
SCHEMBL13091424 0.81 HRH3 (0.51) CCR5HRH3ACACB
SCHEMBL213590 0.81 SRD5A1 (0.50) EPHX2HRH3SRD5A1SRD5A2KMT2A
SCHEMBL18956911 0.81 ALDH1A1 (0.43) CCR5ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CCR5 553/4885EPHX2 2115/4885HRH3 1553/4885

“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.