SCHEMBL8916285

SCHEMBL8916285

CC1=CCN(CC(=O)N2CCOCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.43
FKBP1A P62942 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL16255724 0.88 TSHR (0.56) ALOX15TSHRHSD17B10NPC1RAB9A
SCHEMBL17888270 0.78 AKR1C3 (0.50) TSHRLMNAGAAALDH1A1TP53
SCHEMBL12286004 0.77 GAA (0.50) NPC1KDM4ELMNASMN1; SMN2POLB
SCHEMBL8916950 0.76 ALDH1A1 (0.59) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL7882466 0.76 KDM4E (0.39) HSD17B10KDM4ELMNASMN1; SMN2POLB
SCHEMBL7918576 0.75 NAMPT (0.54) ALOX15TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL26981196 0.73 HSD17B10 (0.91) ALOX15TSHRHSD17B10NPC1RAB9A
SCHEMBL21423709 0.72 KDM4E (0.42) ALOX15KDM4ELMNASMN1; SMN2POLB
SCHEMBL11959926 0.72 CCNT1 (0.39) TSHRHSD17B10KDM4ELMNASMN1; SMN2
SCHEMBL4472888 0.72 TSHR (0.58) ALOX15TSHRHSD17B10NPC1RAB9A

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
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALOX15 495/4885TSHR 1585/4885HSD17B10 1452/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALOX15 1010/4885TSHR 2239/4885HSD17B10 1295/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALOX15 597/4885TSHR 743/4885HSD17B10 801/4885

“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.