SCHEMBL10253487

SCHEMBL10253487

O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.67
▸ EPHX2 P34913 3/20 0.53
▸ NAMPT P43490 3/20 0.52
▸ PTPN1 P18031 1/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ HPGDS O60760 1/20 0.46
▸ CNR1 P21554 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10253309 0.90 CNR2 (0.69) CNR2EPHX2NAMPTHPGDS
SCHEMBL10253447 0.85 CNR2 (0.78) CNR2EPHX2NAMPTPTPN1CNR1
SCHEMBL10253347 0.82 CNR2 (0.68) CNR2EPHX2NAMPTCNR1
SCHEMBL10253825 0.81 CNR2 (0.72) CNR2NAMPTPTPN1KMT2ANPC1
SCHEMBL10253343 0.80 CNR2 (1.00) CNR2EPHX2NAMPTPTPN1CNR1
SCHEMBL10253368 0.79 CNR2 (1.00) CNR2NAMPTCNR1MAPTALDH1A1
SCHEMBL10253053 0.78 CNR2 (0.71) CNR2NAMPTPTPN1KMT2AMAPT
SCHEMBL10257578 0.78 NPC1 (0.71) CNR2NAMPTPTPN1KMT2AMAPT
SCHEMBL10253833 0.75 MEN1 (0.71) CNR2KMT2AMAPTNPC1ALDH1A1
SCHEMBL10253332 0.75 CNR2 (0.80) CNR2EPHX2NAMPTCNR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 — — US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 — — US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 — — US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 — — 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885EPHX2 1031/4885NAMPT 1918/4885

“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.

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