SCHEMBL17103302

SCHEMBL17103302

CC(Cl)COn1cnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AGER Q15109 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.42
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
TNF P01375 1/20 0.41
APAF1 O14727 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL28860663 0.78 TDP1 (0.48) SMN1; SMN2HTTLMNAMAPK1MEN1
SCHEMBL15264910 0.77 AGER (0.48) SMN1; SMN2HTTLMNAMAPK1GAA
SCHEMBL30275503 0.75 MEN1 (0.49) SMN1; SMN2HTTLMNAMAPK1MEN1
SCHEMBL17103057 0.74 SMN1; SMN2 (0.45) SMN1; SMN2HTTLMNAMAPK1GAA
SCHEMBL9672155 0.72 CYP11B1 (0.53) SMN1; SMN2HTTLMNAMAPK1MEN1
SCHEMBL491202 0.72 HTT (0.50) SMN1; SMN2HTTLMNAMEN1HPGD
SCHEMBL17103166 0.72 TSHR (0.58) SMN1; SMN2HTTMAPTHPGDKMT2A
SCHEMBL1293053 0.72 TDP1 (0.52) SMN1; SMN2HTTLMNAMAPK1MEN1
SCHEMBL8474401 0.71 ADRB2 (0.34) SMN1; SMN2HTTLMNAMAPK1GAA
SCHEMBL9251888 0.70 LMNA (0.47) SMN1; SMN2HTTLMNAMAPK1HSD17B10

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-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
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-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 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-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 EP 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-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 SMN1; SMN2 2980/4885HTT 2390/4885LMNA 1512/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 SMN1; SMN2 2708/4885HTT 1638/4885LMNA 1586/4885

“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.