SCHEMBL1014530

SCHEMBL1014530

COc1cc(C(=O)N(C)OC)ccc1CN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
KCNJ1 P48048 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL1014280 0.87 CYP2A13 (0.47) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL1421404 0.85 CTSB (0.50) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL1012433 0.84 L3MBTL1 (0.60) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL221039 0.84 KCNJ1 (0.54) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL4263319 0.83 CYP2D6 (0.52) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL221971 0.83 SMN1; SMN2 (0.56) MAPTALDH1A1KDM4ELMNARECQL
Hydrochloric Acid SCHEMBL4902833 0.83 KCNJ1 (0.53) MAPTALDH1A1KDM4ELMNARECQL
SCHEMBL1014491 0.80 HIF1A (0.61) KDM4ELMNASMN1; SMN2KMT2AMAPK1
SCHEMBL1014092 0.79 ABL1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2CYP2D6
SCHEMBL4046402 0.77 CYP1A2 (0.46) MAPTALDH1A1LMNACYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-02-10 US disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed
WO-2009131171-A1 NOVEL FIVE-MEMBERED RING COMPOUND 大日本住友製薬株式会社 (JP) 2009-10-29 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 (1 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-20110034466-A1 NOVEL FIVE-MEMBERED RING COMPOUND CCL11, CCR1, CCR10 MAPT 4799/4885ALDH1A1 2564/4885KDM4E 2508/4885

“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.