SCHEMBL5999113

SCHEMBL5999113

O=C(O)C1=CN(c2ccccc2)CN1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ FPR1 P21462 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ CNR2 P34972 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CNR1 P21554 2/20 0.35
▸ P2RX7 Q99572 3/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34

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
SCHEMBL5999177 0.73 ALDH1A1 (0.39) ALDH1A1LMNAFPR1FAAHCNR2
SCHEMBL5999227 0.72 ALDH1A1 (0.41) ALDH1A1LMNAFPR1FAAHCNR2
SCHEMBL5999404 0.71 ALDH1A1 (0.40) ALDH1A1LMNAFPR1FAAHCNR2
SCHEMBL1077288 0.65 MAPK1 (0.40) ALDH1A1FPR1CNR2TSHRP2RX7
Hydrochloric Acid SCHEMBL1077516 0.63 SMN1; SMN2 (0.39) ALDH1A1FPR1CNR2TSHRP2RX7
SCHEMBL1073193 0.60 ALDH1A1 (0.56) ALDH1A1LMNAFPR1KMT2AGLA
SCHEMBL2998694 0.58 FPR1 (0.38) ALDH1A1LMNAFPR1TSHRP2RX7
SCHEMBL2998699 0.58 FPR1 (0.38) ALDH1A1LMNAFPR1TSHRP2RX7
SCHEMBL22291950 0.57 KMT2A (0.49) ALDH1A1CNR2KDM4ETSHRMEN1
SCHEMBL17476011 0.57 LMNA (0.47) ALDH1A1LMNATSHRHTTMEN1

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-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 — — US disclosed
US-20060194779-A1 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2006-08-31 — — 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-20060194779-A1 1H-imidazole derivatives as cannabinoid CB2 receptor modulators CNR1, CNR2, HRH4 ALDH1A1 1715/4885LMNA 3868/4885FPR1 1546/4885

“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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