SCHEMBL3594722

SCHEMBL3594722

O=C(O)N[C@@H]1CCN(C[C@@H]2OC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)[C@H]2c2cccc(F)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.41
MC4R P32245 3/20 0.38
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
HTR7 P34969 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
GHSR Q92847 1/20 0.35
CCR3 P51677 2/20 0.35
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3594724 1.00 CCR2 (0.41) CCR2MC4RDRD2DRD4HTR7
SCHEMBL13168221 0.90 USP14 (0.40) CCR2DRD2
SCHEMBL3596723 0.86 TSHR (0.35) DRD2POLBKMT2A
SCHEMBL15182152 0.86 KMT2A (0.36) DRD2SIGMAR1POLBKMT2A
SCHEMBL3596729 0.86 TSHR (0.35) DRD2POLBKMT2A
SCHEMBL15169813 0.83 MCHR1 (0.37) DRD2
SCHEMBL15182155 0.83 TSHR (0.38) ALDH1A1POLBKMT2A
SCHEMBL3592459 0.82 KMT2A (0.38) ALDH1A1POLBKMT2A
SCHEMBL15169816 0.82 ALDH1A1 (0.34) DRD2ALDH1A1KMT2A
SCHEMBL3583328 0.81 KMT2A (0.38) ALDH1A1POLBKMT2A

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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CCR2 465/4885MC4R 515/4885DRD2 889/4885

“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.