SCHEMBL6160138

SCHEMBL6160138

CC(=O)N(c1ccccc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.54
SLC6A2 P23975 8/20 0.54
SLC6A3 Q01959 6/20 0.54
KCNH2 Q12809 3/20 0.51
CYP2D6 P10635 2/20 0.50
OPRD1 P41143 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
LMNA P02545 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 1/20 0.42

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
Hydrochloric Acid SCHEMBL22797859 0.98 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL8807231 0.88 CHRM3 (0.54) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL8553350 0.86 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL2995935 0.84 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6621005 0.83 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6601536 0.83 KDM4E (0.64) OPRD1CHRM2CHRM3LMNATRPM8
SCHEMBL28768033 0.83 OPRM1 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL926462 0.83 OPRM1 (0.61) SLC6A4SLC6A2SLC6A3KCNH2OPRD1
SCHEMBL6629807 0.83 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL3081660 0.83 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP claimed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP claimed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO claimed
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2021-04-20 US disclosed
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-10-15 US disclosed
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2020-08-11 US disclosed
US-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2020-03-12 US disclosed
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2019-05-23 US disclosed
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof SANOFI (FR) 2019-03-05 US disclosed
EP-0680962-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1995-11-08 EP disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
US-5411971-A N-alkylenepiperidino compounds, their enantiomers and pharmaceutical compositions ELF SANOFI (FR) 1995-05-02 US disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed
US-5025013-A Antiarrhythmia or antifibrillatory agents RHONE-POULENC SANTE (FR) 1991-06-18 US disclosed
EP-0379441-A1 Benzopyrane derivatives, their preparation and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1990-07-25 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 (6 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-20200078370-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR SLC6A4 4012/4885SLC6A2 2964/4885SLC6A3 4209/4885
US-20200323874-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR SLC6A4 4142/4885SLC6A2 3259/4885SLC6A3 4345/4885
US-20190151330-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND THERAPEUTIC USES THEREOF DPYD, TYMP, DHFR SLC6A4 4012/4885SLC6A2 2964/4885SLC6A3 4209/4885
US-10736904-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR SLC6A4 3866/4885SLC6A2 2671/4885SLC6A3 4176/4885
US-10980816-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR SLC6A4 3894/4885SLC6A2 2774/4885SLC6A3 4215/4885
US-10220044-B2 Thienopyrimidine derivatives, processes for the preparation thereof and therapeutic uses thereof DPYD, TYMP, DHFR SLC6A4 3866/4885SLC6A2 2671/4885SLC6A3 4176/4885

“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.