SCHEMBL2300940

SCHEMBL2300940

c1ccc(OCN2CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.53
KDM4E B2RXH2 2/20 0.51
HRH3 Q9Y5N1 6/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CXCR1 P25024 1/20 0.49
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL12486958 0.96 LTA4H (0.58) LTA4HKDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL3154476 0.94 HRH3 (0.57) LTA4HKDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL255055 0.82 ESR1 (0.58) LTA4HKDM4EHRH3ALDH1A1TSHR
SCHEMBL12403566 0.80 DRD2 (0.68) HRH3SMN1; SMN2CYP2D6HRH1KCNH2
SCHEMBL21695104 0.79 HRH3 (0.57) KDM4EHRH3ALDH1A1
SCHEMBL21695105 0.79 RAB9A (0.57) LTA4HHRH3ALDH1A1CYP2D6HRH1
SCHEMBL14500223 0.78 LTA4H (0.77) LTA4HKDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL3223854 0.77 CHRNB2 (0.67) LTA4H
SCHEMBL4313569 0.76 LTA4H (0.51) LTA4HKDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL21371330 0.75 TSHR (0.44) LTA4HKDM4EALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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 (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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I LTA4H 1226/4885KDM4E 816/4885HRH3 1546/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B LTA4H 753/4885KDM4E 4126/4885HRH3 593/4885

“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.