SCHEMBL6603825

SCHEMBL6603825

COC(=O)c1ccc(C2CCNCC2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
HTR2C P28335 9/20 0.47
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46
ADRB2 P07550 1/20 0.42
NR4A2 P43354 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BRPF1 P55201 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BRD4 O60885 1/20 0.40
PLAT P00750 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL4431279 0.82 HTR2C (0.55) HTR2CPDK2PDK4KDM4EBRPF1
SCHEMBL6608926 0.82 BRD4 (0.46) PDK2PDK4NR4A2KDM4EMEN1
Hydrochloric Acid SCHEMBL5729720 0.81 HTR2C (0.56) HTR2CPDK2PDK4KDM4EBRPF1
SCHEMBL30735793 0.81 IKBKB (0.52) HTR6HTR2CADRB2KMT2A
SCHEMBL19284556 0.81 IKBKB (0.52) HTR6HTR2CADRB2KMT2A
SCHEMBL13645911 0.79 HTR2C (0.56) HTR6HTR2CPDK2PDK4
Hydrochloric Acid SCHEMBL3869528 0.78 HTR2C (0.57) HTR6HTR2CPDK2PDK4
SCHEMBL16400915 0.77 HPGD (0.42) PDK2PDK4NR4A2CREBBPKDM4E
Hydrochloric Acid SCHEMBL17782268 0.76 SLC6A3 (0.43) KDM4EKMT2ASLC6A3
SCHEMBL29434198 0.76 BRD4 (0.59) NR4A2CREBBPKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 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 (2 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HTR6 808/4885HTR2C 672/4885PDK2 255/4885
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A HTR6 13/4885HTR2C 10/4885PDK2 1201/4885

“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.