SCHEMBL16238288

SCHEMBL16238288

CC(C)(C)c1nnc(N)s1.O=C(O)[C@@H]1CCCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.60
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
PTGDR Q13258 1/20 0.34
CNR1 P21554 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL13256996 0.81 CNR2 (0.89) CNR2NPC1RAB9ACNR1CYP2C8
SCHEMBL3713136 0.80 CNR2 (0.53) CNR2POLBP2RX7CA1CA2
SCHEMBL3713140 0.80 CNR2 (0.53) CNR2POLBP2RX7CA1CA2
SCHEMBL9891934 0.75 CNR2 (1.00) CNR2NPC1RAB9ACNR1CYP2C8
SCHEMBL9237484 0.74 CNR2 (0.50) CNR2PTGER3PTGER2PTGDRCNR1
SCHEMBL2572997 0.73 CNR2 (0.52) CNR2PTGER3PTGER2POLBP2RX7
SCHEMBL2572998 0.73 CNR2 (0.52) CNR2PTGER3PTGER2POLBP2RX7
SCHEMBL9891583 0.70 CNR2 (0.81) CNR2NPC1RAB9APOLBMEN1
SCHEMBL31192264 0.68 CCR1 (0.41) CNR2PTGER3PTGER2MEN1KMT2A
SCHEMBL13256994 0.67 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed

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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885NPC1 1779/4885RAB9A 2445/4885

“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.