SCHEMBL17103014

SCHEMBL17103014

CC(Cl)CCn1nnc2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
KMO O15229 1/20 0.39
CYP11B2 P19099 5/20 0.37
SLC9A1 P19634 6/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP11B1 P15538 4/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
KMT2A Q03164 1/20 0.34
TDO2 P48775 1/20 0.34
BRD4 O60885 1/20 0.33
ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL19915656 0.82 SLC9A1 (0.55) GLATSHRKMOCYP11B2SLC9A1
SCHEMBL29342227 0.81 MAPT (0.44) GLATSHRCYP11B2SLC9A1KDM4E
SCHEMBL19848442 0.80 SLC9A1 (0.57) GLATSHRKMOCYP11B2SLC9A1
SCHEMBL6187558 0.79 SLC9A1 (0.53) GLATSHRCYP11B2SLC9A1KDM4E
SCHEMBL17103041 0.78 SLC9A1 (0.52) GLATSHRKMOCYP11B2SLC9A1
SCHEMBL19848267 0.76 TSHR (0.43) GLATSHRKMOCYP11B2SLC9A1
SCHEMBL19848264 0.75 CYP11B2 (0.41) GLATSHRKMOCYP11B2SLC9A1
SCHEMBL19848485 0.74 GRM2 (0.60) GLATSHRSLC9A1KDM4EMAPT
SCHEMBL4245748 0.74 SLC9A1 (0.48) CYP11B2SLC9A1MAPTCYP11B1KMT2A
SCHEMBL19848443 0.73 KDM4E (0.39) GLATSHRKMOCYP11B2SLC9A1

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
CN-108721289-A The purposes of benzo five-membered Azacyclyl piperidine derivative 沈阳海王生物技术有限公司 2018-11-02 CN disclosed
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
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

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 GLA 2676/4885TSHR 2743/4885KMO 1575/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 GLA 2677/4885TSHR 1880/4885KMO 1489/4885

“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.