SCHEMBL5990981

SCHEMBL5990981

O=CNCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
HIF1A Q16665 3/20 0.55
EPAS1 Q99814 3/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KCNJ1 P48048 1/20 0.51
TSHR P16473 1/20 0.49
AOC3 Q16853 1/20 0.49
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3304463 0.82 L3MBTL1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTRAB9A
SCHEMBL12503437 0.81 LMNA (0.56) HRH3ALDH1A1LMNAHPGDRAB9A
SCHEMBL14368312 0.81 HRH3 (0.59) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL24677400 0.81 CXCR4 (0.56) HRH3
SCHEMBL15467001 0.80 HRH3 (0.87) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL14058774 0.80 HRH3 (0.67) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL5987431 0.79 DRD4 (0.64) ALDH1A1HTTKDM4E
SCHEMBL6321373 0.78 HRH3 (0.56) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL14313879 0.78 NCF1 (0.71) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2
SCHEMBL207661 0.78 HRH3 (0.65) HRH3HIF1AEPAS1ALDH1A1SMN1; SMN2

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
WO-2022178030-A1 TRPM8 AGONISTS AS COOLING AGENTS AND FOR THE TREATMENT OF DISEASE Concentric Analgesics, Inc. (US) 2022-08-25 WO disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 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 (2 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HRH3 2985/4885HIF1A 3484/4885EPAS1 1232/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 HRH3 1190/4885HIF1A 3354/4885EPAS1 1015/4885

“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.