SCHEMBL470707

SCHEMBL470707

Cc1ccc2c(C3CCNCC3)noc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
HTR2A P28223 4/20 0.47
DRD3 P35462 1/20 0.47
HTR2C P28335 2/20 0.46
DRD2 P14416 4/20 0.44
SLC6A4 P31645 1/20 0.44
HTR1A P08908 2/20 0.44
ACHE P22303 2/20 0.42
LCK P06239 2/20 0.42
MAP2K1 Q02750 2/20 0.42
CSF1R P07333 1/20 0.42
CHRNA7 P36544 2/20 0.41
HTR3A P46098 2/20 0.41
SCD O00767 1/20 0.41
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
GRM4 Q14833 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL23175518 0.89 HTR2A (0.51) MAPK14HTR2ADRD3DRD2SLC6A4
SCHEMBL14034032 0.88 HTR2A (0.46) MAPK14HTR2ADRD3HTR2CDRD2
Hydrochloric Acid SCHEMBL29891155 0.87 HTR2A (0.45) MAPK14HTR2ADRD3HTR2CDRD2
Hydrochloric Acid SCHEMBL23581610 0.87 HTR2A (0.45) MAPK14HTR2ADRD3HTR2CDRD2
SCHEMBL8237364 0.84 MAPK14 (0.47) MAPK14HTR2ADRD2SLC6A4ACHE
SCHEMBL7966100 0.82 MAPK14 (0.47) MAPK14HTR2ADRD2SLC6A4ACHE
SCHEMBL3523366 0.82 MAPK14 (0.47) MAPK14DRD2SLC6A4ACHELCK
SCHEMBL1545681 0.82 MAPK14 (0.47) MAPK14HTR2ADRD3DRD2SLC6A4
SCHEMBL461287 0.82 ACHE (0.61) HTR2ADRD2SLC6A4ACHESCD
SCHEMBL15487431 0.82 MAPK14 (0.49) MAPK14DRD2SLC6A4ACHELCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021098737-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 上海枢境生物科技有限公司 2021-05-27 WO 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-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-103830238-A Use of benzo five-membered azaheterocyclyl piperidine derivatives SHENYANG BEIEN PHARMACEUTICAL CO LTD 2014-06-04 CN disclosed
CN-103833730-A Benzo five-membered nitrogen-containing heterocycle-based piperazine derivative and preparation method as well as application thereof LIAONING BEILEI BIOLOG PHARMACEUTICAL CO LTD 2014-06-04 CN disclosed
US-8481729-B2 Processes for the preparation of paliperidone MSN LABORATORIES LIMITED (IN) 2013-07-09 US disclosed
WO-2012032532-A1 \"PROCESSES FOR THE PREPARATION OF 4'-[3-[4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINO]PROPOXY]-3'-METHOXYACETOPHENONE AND INTERMEDIATES THEREOF\ SYMED LABS LIMITED (IN) 2012-03-15 WO disclosed
US-7183283-B2 Piperidinyl-alkylamino-pyridazinone derivatives, a process for the preparation thereof and pharmaceutical compositions containing said compounds EGIS GYOGYSZERGYAR RT. (HU) 2007-02-27 US 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 MAPK14 3650/4885HTR2A 353/4885DRD3 684/4885

“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.