SCHEMBL3985447

SCHEMBL3985447

CC(C)(C)C1CC(c2cccc(N)c2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.39
OPRM1 P35372 3/20 0.35
OPRD1 P41143 3/20 0.35
SLC18A3 Q16572 2/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
BTK Q06187 1/20 0.33
BACE1 P56817 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMO O15229 1/20 0.33
PARP10 Q53GL7 2/20 0.32
PARP14 Q460N5 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 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
SCHEMBL29136131 0.86 RIPK1 (0.49) RIPK1SLC18A3BACE1
SCHEMBL16634470 0.85 DRD2 (0.40) RIPK1SLC18A3BACE1
SCHEMBL28059312 0.81 LMNA (0.43)
SCHEMBL3988014 0.81 HDAC6 (0.34) RIPK1OPRM1OPRD1
SCHEMBL27224984 0.81 HDAC6 (0.34) RIPK1
SCHEMBL20448611 0.80 TRPC6 (0.40) RIPK1DDB1CRBN
SCHEMBL3502629 0.79 QDPR (0.42)
SCHEMBL28053867 0.79 OPRK1 (0.41) OPRM1
SCHEMBL28053930 0.79 ALDH1A1 (0.39) OPRM1OPRD1DDB1CRBN
SCHEMBL4615095 0.77 NPC1 (0.45) BACE1KMOPARP10PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105384695-A Pyrimidine derivative, preparation method therefor and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-03-09 CN disclosed
US-7473698-B2 Secondary amino anilinic piperidines as MCH1 antagonists and uses thereof H. LUNBECK A/S (DK) 2009-01-06 US disclosed
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
US-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof H. LUNDBECK A/S (DK) 2005-11-03 US disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 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-20050245743-A1 Secondary amino anilinic piperidines as mch1 antagonists and uses thereof MCHR1, MCHR2, MC1R RIPK1 4666/4885OPRM1 46/4885OPRD1 68/4885

“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.