SCHEMBL19147708

SCHEMBL19147708

COc1nc2c(cc1[N+](=O)[O-])CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
PNMT P11086 2/20 0.35
ADRA2A P08913 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
SIRT6 Q8N6T7 1/20 0.34
TXNRD1 Q16881 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MERTK Q12866 1/20 0.32

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
SCHEMBL19127671 0.85 HTR2C (0.39) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL19127163 0.81 SIRT6 (0.45) HTR2CHTR2AHTR2BALDH1A1MAPT
Piperazine SCHEMBL28182405 0.81 ALDH1A1 (0.39) ALDH1A1MAPTTXNRD1POLBHTT
SCHEMBL19148157 0.78 MAPT (0.43) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL2080758 0.78 HTR2C (0.41) HTR2CHTR2AHTR2BADRA2A
SCHEMBL19147840 0.77 ALDH1A1 (0.47) ALDH1A1MAPTSIRT6LMNA
SCHEMBL2062089 0.75 HTR2A (0.54) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL4215967 0.75 HTR2C (0.54) HTR2CHTR2AHTR2B
SCHEMBL14147769 0.75 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL19147561 0.75 ALDH1A1 (0.39) ALDH1A1MAPTSIRT6TXNRD1LMNA

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-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 US disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-05-21 US disclosed
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER, INC. (US) 2020-03-17 US disclosed
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2019-02-14 US disclosed
WO-2017122116-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS PFIZER INC. (US) 2017-07-20 WO 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 (4 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-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 HTR2C 18/4885HTR2A 42/4885HTR2B 89/4885
US-20200157098-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 HTR2C 18/4885HTR2A 42/4885HTR2B 89/4885
US-10590128-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 HTR2C 18/4885HTR2A 42/4885HTR2B 89/4885
US-20190047997-A1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS DRD3, DRD2, DRD4 HTR2C 18/4885HTR2A 42/4885HTR2B 89/4885

“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.