SCHEMBL3983449

SCHEMBL3983449

O=Cc1ccc2c(c1)CCC1(C2)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH3A1 P30838 1/20 0.32
ALDH1A3 P47895 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2A6 P11509 2/20 0.30
KCNJ1 P48048 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
SCHEMBL17509598 0.76 ALDH1A1 (0.36) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL3990720 0.76 APP (0.40) ALDH1A1
SCHEMBL4893807 0.76 ESR2 (0.39)
SCHEMBL18998250 0.76 ADRA2A (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL31660692 0.74 ALDH1A1 (0.36) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL17509605 0.74 ALDH1A1 (0.36) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL6687949 0.72 SIGMAR1 (0.40) ALDH1A1HPGDKDM4E
SCHEMBL3982323 0.72 DRD2 (0.45)
SCHEMBL5523900 0.72 ADRA2A (0.50) ALDH1A1
SCHEMBL2609180 0.71 ALDH1A1 (0.47) ALDH1A1MEN1GAAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-7550467-B2 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 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 (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-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R ALDH1A1 3443/4885MEN1 453/4885GAA 713/4885

“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.