SCHEMBL4283601

SCHEMBL4283601

CN(C)CCCN1CCC(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.76
MAPK1 P28482 5/20 0.76
CYP1A2 P05177 3/20 0.76
ABCB1 P08183 3/20 0.76
HTR1A P08908 3/20 0.76
ADRA2A P08913 3/20 0.76
ADORA3 P0DMS8 3/20 0.76
CYP2D6 P10635 3/20 0.76
CHRM1 P11229 3/20 0.76
DRD1 P21728 3/20 0.76
SLC6A2 P23975 3/20 0.76
SLC6A4 P31645 3/20 0.76
ADRA1A P35348 3/20 0.76
DRD3 P35462 3/20 0.76
THPO P40225 3/20 0.76
MTOR P42345 3/20 0.76
SLC6A3 Q01959 3/20 0.76
KCNH2 Q12809 3/20 0.76
ABCB11 O95342 3/20 0.76
NPC1 O15118 2/20 0.76

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
SCHEMBL23353457 0.90 TP53 (0.85) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL3399336 0.90 FPR2 (0.65) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL4273505 0.88 FPR2 (0.75) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL4279887 0.88 FPR2 (0.84) TP53MAPK1CYP1A2ABCB1HTR1A
Trifluoperazine SCHEMBL28057424 0.88 FPR2 (0.86) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL10168007 0.88 FPR2 (0.72) TP53MAPK1CYP1A2ABCB1HTR1A
Triflupromazine SCHEMBL32668886 0.87 CYP1A2 (1.00) TP53MAPK1CYP1A2ABCB1HTR1A
Triflupromazine SCHEMBL44085 0.87 CYP1A2 (1.00) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL4281060 0.87 FPR2 (0.68) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL561133 0.87 FPR2 (0.70) TP53MAPK1CYP1A2ABCB1HTR1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130457-A1 Phenothiazine Derivatives for Treatment of Asthma IMMUNE CONTROL, INC. 2010-05-27 US disclosed
US-20100130457-A1 Phenothiazine Derivatives for Treatment of Asthma IMMUNE CONTROL, INC. 2010-05-27 US disclosed
WO-2010056979-A1 PHENOTHIAZINE DERIVATIVES FOR TREATMENT OF ASTHMA IMMUNE CONTROL, INC. (US) 2010-05-20 WO disclosed
US-20100035858-A1 Novel Compositions and Methods for Binding and Inhibiting 5-HT4 Receptor IMMUNE CONTROL, INC. 2010-02-11 US disclosed
US-20100035858-A1 Novel Compositions and Methods for Binding and Inhibiting 5-HT4 Receptor IMMUNE CONTROL, INC. 2010-02-11 US disclosed
WO-2010009332-A1 BINDING AND INHIBITING 5-HT4 RECEPTOR IMMUNE CONTROL, INC. (US) 2010-01-21 WO disclosed
US-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes IMMUNE CONTROL, INC. (US) 2009-11-05 US disclosed
US-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes IMMUNE CONTROL, INC. (US) 2009-11-05 US disclosed
US-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes IMMUNE CONTROL, INC. (US) 2009-11-05 US disclosed
WO-2009108635-A2 NOVEL COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES RELATED TO ACTIVATED LYMPHOCYTES IMMUNE CONTROL, INC. (US) 2009-09-03 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 (3 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-20100130457-A1 Phenothiazine Derivatives for Treatment of Asthma IL5, HRH4, TLR5 TP53 3898/4885MAPK1 3372/4885CYP1A2 132/4885
US-20100035858-A1 Novel Compositions and Methods for Binding and Inhibiting 5-HT4 Receptor HTR4, HTR3B, HTR5A TP53 2701/4885MAPK1 1859/4885CYP1A2 4422/4885
US-20090275557-A1 Novel Composition for Treatment of Diseases Related to Activated Lymphocytes TPH1, HTR5A, HTR6 TP53 1694/4885MAPK1 1697/4885CYP1A2 2446/4885

“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.