SCHEMBL9109215

SCHEMBL9109215

Cc1ccc(N2C(=O)CCC2C(=O)O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR2 P41597 1/20 0.47
HDAC1 Q13547 7/20 0.42
HDAC6 Q9UBN7 7/20 0.42
HDAC8 Q9BY41 5/20 0.42
TSHR P16473 1/20 0.42
HDAC5 Q9UQL6 4/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GFER P55789 1/20 0.41
PHGDH O43175 1/20 0.41
CNR2 P34972 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX7 Q99572 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C8 P10632 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
SCHEMBL9109207 1.00 CCR1 (0.47) CCR1CCR2HDAC1HDAC6HDAC8
SCHEMBL9107363 0.89 TSHR (0.42) CCR1CCR2HDAC1HDAC6HDAC8
SCHEMBL9107374 0.89 TSHR (0.42) CCR1CCR2HDAC1HDAC6HDAC8
SCHEMBL9106736 0.89 TSHR (0.52) HDAC1HDAC6HDAC8TSHRHDAC5
SCHEMBL9106744 0.89 TSHR (0.52) HDAC1HDAC6HDAC8TSHRHDAC5
SCHEMBL9108353 0.85 KMT2A (0.51) TSHRGFERPHGDHCNR2P2RX7
SCHEMBL9108362 0.85 KMT2A (0.51) TSHRGFERPHGDHCNR2P2RX7
SCHEMBL13285326 0.84 TSHR (0.45) HDAC1HDAC6HDAC8TSHRHDAC5
SCHEMBL9108825 0.84 P2RX7 (0.47) HDAC1HDAC6HDAC8TSHRHDAC5
SCHEMBL9108816 0.84 P2RX7 (0.47) HDAC1HDAC6HDAC8TSHRHDAC5

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-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CCR1 158/4885CCR2 6/4885HDAC1 1767/4885

“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.