SCHEMBL186587

SCHEMBL186587

C#CC1(c2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
AKR1C1 Q04828 1/20 0.42
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP2B6 P20813 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9408522 0.98 SLC6A4 (0.42) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL18297676 0.91 OPRM1 (0.39) DPP4OPRM1MEN1KMT2A
SCHEMBL14610968 0.81 OPRM1 (0.55) SLC6A4KCNH2OPRM1MEN1ALDH1A1
SCHEMBL28545379 0.79 CYP2C9 (0.38) SLC6A2SLC6A4SLC6A3SIGMAR1NPC1
SCHEMBL7450867 0.77 AKR1C1 (0.47) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL56575 0.77 NPC1 (0.57) OPRM1OPRD1MEN1NPC1ALDH1A1
SCHEMBL7214379 0.77 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL31147216 0.77 POLB (0.38) SLC6A4SLC6A3OPRM1OPRD1MEN1
SCHEMBL181145 0.76 NPC1 (0.55) OPRM1OPRD1MEN1NPC1ALDH1A1
SCHEMBL18768887 0.76 NPC1 (0.55) OPRM1OPRD1MEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511721-B Special organic silicon adhesive for display lamination and preparation method thereof 复旦大学 2021-04-02 CN claimed
US-9023864-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
CN-102333771-B Indole derivatives as crth2 receptor antagonists MERCK SHARP & DOHME 2014-03-19 CN disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists MERCK SHARP & DOHME LLC 2013-06-13 US disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
CN-102333771-A Indole derivatives as crth2 receptor antagonists MERCK SHARP & DOHME 2012-01-25 CN disclosed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US disclosed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 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-20130150398-A1 Indole Derivatives as CRTH2 Receptor Antagonists PTGER2, PTGDR2, PTGDR DPP4 4221/4885AKR1C1 590/4885GRIN2D 523/4885
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR DPP4 4221/4885AKR1C1 590/4885GRIN2D 523/4885

“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.