SCHEMBL17103103

SCHEMBL17103103

ClCCOn1nnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
KMT2A Q03164 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HPGD P15428 1/20 0.52
SLC9A1 P19634 4/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.46
BRD4 O60885 1/20 0.45
GRM2 Q14416 1/20 0.45
POLB P06746 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL17103020 0.90 TSHR (0.59) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL9483441 0.83 TSHR (0.63) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL4006352 0.82 TSHR (0.67) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL28881396 0.80 TSHR (0.59) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL22498386 0.80 TSHR (0.59) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL4080308 0.80 TSHR (0.59) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL29883061 0.80 TSHR (0.59) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL3957403 0.79 TSHR (0.58) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL9995093 0.79 KMT2A (0.51) TSHRNPSR1RXFP1KMT2ASMN1; SMN2
SCHEMBL23146639 0.79 TSHR (0.67) TSHRNPSR1RXFP1KMT2ASMN1; SMN2

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 6 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-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
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 TSHR 2743/4885NPSR1 21/4885RXFP1 139/4885
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 TSHR 1880/4885NPSR1 75/4885RXFP1 557/4885

“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.