SCHEMBL4804093

SCHEMBL4804093

CN(C)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.62
SLC6A4 P31645 3/20 0.62
SLC6A3 Q01959 3/20 0.62
PYCR1 P32322 1/20 0.59
SIGMAR1 Q99720 7/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
IDO1 P14902 2/20 0.52
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1B P28222 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51

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 SCHEMBL2166733 0.98 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
Propene SCHEMBL2169931 0.89 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL7079099 0.83 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL19576554 0.83 PYCR1 (0.56) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL18901128 0.83 PYCR1 (0.56) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL23992712 0.81 HTR1A (0.47) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL13478300 0.81 HTR2A (0.47) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL15051655 0.81 HTR7 (0.47) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL23357811 0.81 HRH3 (0.45) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1
SCHEMBL8290709 0.81 TAAR1 (0.47) SLC6A2SLC6A4SLC6A3PYCR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041448-A1 Disinfecting composition containing a quaternary ammonium and an oligomer of hexamethylene-diguanide hydrochloride Salkin, Nicolas (FR) 1981-12-09 EP claimed
US-20250024837-A1 PESTICIDE SYSTEM BANISH, MICHELE 2025-01-23 US disclosed
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
US-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
EP-3321264-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2018-05-16 EP disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed
US-20170319536-A1 Arginase Inhibitors and Their Therapeutic Applications Oncoarendi Therapeutics S.A. (PL) 2017-11-09 US disclosed
CN-105315160-A Benzyl tertiary amine, preparation method and applications thereof UNIV ZHEJIANG OCEAN 2016-02-10 CN disclosed
EP-1553955-A4 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX INC (US) 2008-11-05 EP disclosed
WO-2008118423-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-10-02 WO disclosed
EP-1599212-A4 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2006-02-08 EP disclosed
EP-1599212-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2005-11-30 EP disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed
EP-1553955-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES Combinatorx, Incorporated (US) 2005-07-20 EP disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 WO disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
EP-0041448-A1 Disinfecting composition containing a quaternary ammonium and an oligomer of hexamethylene-diguanide hydrochloride Salkin, Nicolas (FR) 1981-12-09 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 (5 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-11014912-B2 Cyanopyrrolidine derivatives with activity as inhibitors of USP30 USP30, USP39, USP28 SLC6A2 4696/4885SLC6A4 4647/4885SLC6A3 4618/4885
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE SLC6A2 3018/4885SLC6A4 3177/4885SLC6A3 3376/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE SLC6A2 3019/4885SLC6A4 3227/4885SLC6A3 3409/4885
US-20250024837-A1 PESTICIDE SYSTEM ACHE, PFAS, FPGS SLC6A2 4774/4885SLC6A4 4377/4885SLC6A3 4590/4885
US-20170319536-A1 Arginase Inhibitors and Their Therapeutic Applications ARG1, ARG2, ARGLU1 SLC6A2 2942/4885SLC6A4 4411/4885SLC6A3 4100/4885

“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.