SCHEMBL17103115

SCHEMBL17103115

COC(=O)c1ccc2nnn(CCCCCl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.47
SLC9A1 P19634 2/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.45
KMO O15229 1/20 0.44
MAPK10 P53779 1/20 0.42
ALOX15 P16050 1/20 0.41
PLA2G4A P47712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL12421884 0.85 NPC1 (0.49) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL6184141 0.82 HCAR3 (0.56) HCAR3SLC9A1LMNATSHRNPSR1
SCHEMBL13619476 0.81 LMNA (0.42) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL27965846 0.80 HCAR3 (0.40) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL17103068 0.79 BRD4 (0.48) LMNARAB9ASMN1; SMN2HTTMAPT
SCHEMBL15687432 0.79 MAPT (0.53) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL17103008 0.78 SLC9A1 (0.52) SLC9A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2884485 0.77 HCAR3 (0.53) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL12380477 0.77 HCAR3 (0.46) HCAR3LMNATSHRNPSR1NPC1
SCHEMBL31746474 0.76 KMO (0.46) LMNARAB9ASMN1; SMN2HTTMAPT

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-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 US disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP disclosed
CN-103833642-A Use of benzo five-membered azaheterocyclyl piperazine derivatives LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN disclosed
CN-103833658-A Benzotriazole-based piperazine compound as well as preparation method and pharmaceutical composition thereof LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN 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-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 HCAR3 460/4885SLC9A1 837/4885LMNA 1512/4885

“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.