SCHEMBL841052

SCHEMBL841052

CC(C)/C1=C/CN(C(C)C)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNA7 P36544 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL840387 0.94 KDM4E (0.36) KDM4ENPC1LMNAALOX15HTT
SCHEMBL840146 0.86 KDM4E (0.41) KDM4ENPC1LMNAALOX15HTT
SCHEMBL16790348 0.78 QDPR (0.34)
SCHEMBL10287122 0.78 KDM4E (0.36) KDM4ENPC1LMNAALOX15HTT
SCHEMBL840213 0.77 CHRNA7 (0.34) KDM4ECHRNA7HRH3
SCHEMBL840410 0.73 CHRNA7 (0.38) KDM4ECHRNA7HRH3
SCHEMBL839618 0.73 CHRNA7 (0.31) CHRNA7
SCHEMBL12546071 0.72 KDM4E (0.36) KDM4ENPC1LMNAALOX15HTT
SCHEMBL1110070 0.72 QDPR (0.35)
SCHEMBL22920544 0.71 KDM4E (0.39) KDM4ENPC1LMNAALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 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 (3 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 KDM4E 2626/4885NPC1 3139/4885LMNA 3756/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 KDM4E 2143/4885NPC1 3625/4885LMNA 3104/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 KDM4E 2154/4885NPC1 3518/4885LMNA 3646/4885

“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.