SCHEMBL9893095

SCHEMBL9893095

CCC1CCC(=O)N1c1ccc(Cl)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
CCR2 P41597 2/20 0.44
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
PER2 O15055 2/20 0.39
SRD5A1 P18405 7/20 0.39
SRD5A2 P31213 2/20 0.38
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL9893128 0.86 PER2 (0.48) NOTUMPER2SRD5A1BRD4
SCHEMBL16480401 0.82 NOTUM (0.54) NOTUMCCR2CCR1CCR5HDAC1
SCHEMBL9891750 0.78 NOTUM (0.50) NOTUMCCR2CCR1CCR5HDAC1
SCHEMBL9108096 0.76 NOTUM (0.50) NOTUMCCR2CCR1CCR5HDAC1
SCHEMBL9108102 0.76 NOTUM (0.50) NOTUMCCR2CCR1CCR5HDAC1
SCHEMBL25868506 0.74 PER2 (0.37) NOTUMHDAC1HDAC8HDAC6PER2
SCHEMBL31440066 0.71 NOTUM (0.48) NOTUMHDAC1HDAC8HDAC6SRD5A1
SCHEMBL9893023 0.71 PER2 (0.46) PER2KMT2A
SCHEMBL16691753 0.70 MAP4K1 (0.39) NOTUMPER2BRD4
SCHEMBL31165435 0.70 CCR1 (0.44) NOTUMCCR2CCR1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOTUM 2241/4885CCR2 6/4885CCR1 158/4885

“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.