SCHEMBL10258124

SCHEMBL10258124

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCN(C(=O)N2CCOCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
MAPT P10636 2/20 0.62
CNR2 P34972 2/20 0.61
CNR1 P21554 1/20 0.61
MLYCD O95822 1/20 0.60
EPHX2 P34913 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 3/20 0.57
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 2/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL28363944 0.91 SMN1; SMN2 (0.70) AKR1C3MAPTCNR2CNR1MLYCD
SCHEMBL10254154 0.88 CNR2 (0.71) MAPTCNR2CNR1SMN1; SMN2GAA
SCHEMBL10258141 0.87 MLYCD (0.54) AKR1C3MAPTCNR2CNR1MLYCD
SCHEMBL4559682 0.87 MAPT (0.73) MAPTCNR2CNR1EPHX2SMN1; SMN2
SCHEMBL14306236 0.84 MAPT (0.69) MAPTCNR2CNR1EPHX2SMN1; SMN2
SCHEMBL10253332 0.83 CNR2 (0.80) MAPTCNR2CNR1EPHX2KDM4E
SCHEMBL6153200 0.82 KMT2A (0.69) MAPTCNR2CNR1EPHX2SMN1; SMN2
SCHEMBL10253706 0.82 MLYCD (0.50) AKR1C3MAPTCNR2MLYCDSMN1; SMN2
SCHEMBL10253303 0.81 CNR2 (0.67) MAPTCNR2CNR1EPHX2
SCHEMBL10253402 0.81 CNR2 (0.88) MAPTCNR2CNR1EPHX2TSHR

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-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
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 AKR1C3 1225/4885MAPT 3811/4885CNR2 1/4885

“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.