SCHEMBL3333230

SCHEMBL3333230

CNCCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
HTT P42858 2/20 0.66
SCN1A P35498 3/20 0.56
SCN2A Q99250 3/20 0.56
SCN3A Q9NY46 3/20 0.56
HTR2A P28223 3/20 0.56
HRH1 P35367 3/20 0.56
LMNA P02545 2/20 0.56
ADRA1A P35348 2/20 0.56
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM1 P11229 1/20 0.56
TSHR P16473 1/20 0.56
ADRA2B P18089 1/20 0.56
CHRM3 P20309 1/20 0.56
SLC6A2 P23975 1/20 0.56

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 SCHEMBL28100967 0.98 HTT (0.69) SIGMAR1HTTSCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL11382229 0.87 SIGMAR1 (0.62) SIGMAR1HTTSCN1ASCN2ASCN3A
Tofenacin SCHEMBL49290 0.85 CYP2D6 (0.64) SIGMAR1HTTSCN1ASCN2ASCN3A
Tofenacin SCHEMBL637494 0.84 LMNA (0.65) SIGMAR1HTTHTR2AHRH1LMNA
SCHEMBL9051194 0.81 SIGMAR1 (1.00) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL5183470 0.81 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL4905532 0.81 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL5184742 0.81 SIGMAR1 (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A
SCHEMBL4667564 0.80 SCN1A (0.65) SIGMAR1HTTSCN1ASCN2ASCN3A
Hydrochloric Acid SCHEMBL5186556 0.80 HTT (0.49) SIGMAR1HTTSCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113151188-A Hybridoma cell strain capable of secreting diphenhydramine monoclonal antibody and application thereof 江南大学 2021-07-23 CN claimed
CN-108387652-B Method for detecting impurities in compound paracetamol diphenhydramine tablets 四川省食品药品检验检测院 2021-03-02 CN claimed
CN-113151188-B Hybridoma cell strain capable of secreting diphenhydramine monoclonal antibody and application thereof 江南大学 2022-10-18 CN disclosed
CN-113151188-A Hybridoma cell strain capable of secreting diphenhydramine monoclonal antibody and application thereof 江南大学 2021-07-23 CN disclosed
CN-108387652-B Method for detecting impurities in compound paracetamol diphenhydramine tablets 四川省食品药品检验检测院 2021-03-02 CN disclosed
WO-2016037189-A1 SEMI-SOLID CHEWABLE DOSAGE FORM FOR OVER-THE-COUNTER MEDICATIONS AND METHODS FOR PRODUCING SAME SANTA CRUZ PHARMACEUTICALS, INC. (US) 2016-03-10 WO disclosed
US-20150174264-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2015-06-25 US disclosed
US-20150174264-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2015-06-25 US disclosed
US-20150174264-A1 Oligomer-Antihistamine Conjugates NEKTAR THERAPEUTICS (US) 2015-06-25 US disclosed
EP-2121031-B1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2013-10-16 EP disclosed
EP-2121031-B1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2013-10-16 EP disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists COLEY PHARMACEUTICAL GMBH (DE) 2007-10-04 US disclosed
US-7078406-B2 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. (US) 2006-07-18 US disclosed
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes Life Technologies Corporation 2004-12-09 US disclosed
US-6815445-B2 FOR USE AS FLUORESCENCE DYES AND PROBES Life Technologies Corporation 2004-11-09 US disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-06-05 US disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed
US-4097528-A N-(2-diphenylmethoxyethyl)-N-(1-methyl-2-phenoxyethyl)-N-methyl! amine DOCTOR ANDREU, S.A. (ES) 1978-06-27 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 (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-20070232622-A1 Small molecule toll-like receptor (TLR) antagonists TLR3, TLR8, TLR7 SIGMAR1 342/4885HTT 4396/4885SCN1A 3037/4885
US-20150174264-A1 Oligomer-Antihistamine Conjugates HRH4, HRH1, HRH3 SIGMAR1 860/4885HTT 12/4885SCN1A 3216/4885
US-20040248851-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SIGMAR1 1287/4885HTT 3925/4885SCN1A 3939/4885
US-20030105111-A1 Substituted diphenyloxazoles, the synthesis thereof, and the use thereof as fluorescence probes DHFR, FPR1, CYP1A1 SIGMAR1 1287/4885HTT 3925/4885SCN1A 3939/4885

“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.