SCHEMBL387472

SCHEMBL387472

CN1CCOC(C(=O)c2ccc(Br)cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AKR1C3 P42330 1/20 0.36
POLB P06746 1/20 0.36
MAP4K4 O95819 2/20 0.36
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.35
MAP3K5 Q99683 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
BACE1 P56817 2/20 0.33
NAMPT P43490 1/20 0.33
ACKR3 P25106 1/20 0.33
HPGD P15428 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TACR2 P21452 1/20 0.32
TACR1 P25103 1/20 0.32
EIF4A3 P38919 1/20 0.32

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
SCHEMBL390968 0.79 EPHA2 (0.42) TSHRSMN1; SMN2
SCHEMBL391273 0.77 ALDH1A1 (0.45) KDM4EALDH1A1POLBSMN1; SMN2TACR2
SCHEMBL389750 0.74 SLC6A3 (0.45) KDM4EALDH1A1
SCHEMBL13708175 0.71 KMT2A (0.48) ALDH1A1
SCHEMBL2377708 0.68 POLB (0.54) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL14305618 0.68 ALDH1A1 (0.46) KDM4EALDH1A1AKR1C3POLBTSHR
SCHEMBL16160608 0.67 MAP4K4 (0.37) MAP4K4ABL1MAP3K5NAMPTACKR3
SCHEMBL16160601 0.67 MAP4K4 (0.37) MAP4K4ABL1MAP3K5NAMPTACKR3
SCHEMBL1515598 0.67 MAP4K4 (0.37) MAP4K4ABL1MAP3K5NAMPTACKR3
SCHEMBL4887817 0.67 ALDH1A1 (0.53) KDM4EALDH1A1AKR1C3POLBTSHR

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-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
CN-101460503-A Novel MCH receptor antagonists LILLY CO ELI (US) 2009-06-17 CN disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KDM4E 2661/4885ALDH1A1 1274/4885AKR1C3 526/4885

“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.