SCHEMBL7604448

SCHEMBL7604448

CCCN(C(=O)Oc1ccccc1OC)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CCR5 P51681 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13434169 0.78 CYP1A2 (0.57) FNTAFNTBGAAHPGDCCR5
SCHEMBL7601822 0.76 SLC6A4 (0.41) POLBFNTAFNTBGAASMN1; SMN2
Hydrochloric Acid SCHEMBL7664313 0.75 SLC6A4 (0.55) GAAALDH1A1L3MBTL1SLC6A4KCNH2
SCHEMBL8913000 0.72 DRD3 (0.54) CCR5DRD2DRD4DRD3
SCHEMBL12086299 0.72 HSD17B10 (0.62) POLBNPC1SMN1; SMN2L3MBTL1
SCHEMBL14467975 0.70 NCEH1 (0.53) NPC1
SCHEMBL13434159 0.70 SLC6A4 (0.58) ALDH1A1HPGDCCR5SLC6A4KCNH2
SCHEMBL13434168 0.70 UBE2M (0.55) POLBALDH1A1CCR5
SCHEMBL12988419 0.69 BCHE (0.54) POLBSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL9998078 0.69 CCR5 (0.40) CCR5DRD2DRD4DRD3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 POLB 805/4885NPC1 2018/4885FNTA 4402/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 POLB 947/4885NPC1 2321/4885FNTA 4410/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 POLB 2569/4885NPC1 1212/4885FNTA 3035/4885

“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.