SCHEMBL2615384

SCHEMBL2615384

Cc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.80
▸ CHRM2 P08172 8/20 0.80
▸ CHRM1 P11229 8/20 0.80
▸ ADRA1A P35348 8/20 0.80
▸ OPRM1 P35372 8/20 0.80
▸ DRD3 P35462 8/20 0.80
▸ KCNH2 Q12809 8/20 0.80
▸ ADRA2A P08913 7/20 0.80
▸ DRD1 P21728 7/20 0.80
▸ SLC6A2 P23975 6/20 0.80
▸ SLC6A4 P31645 6/20 0.80
▸ TBXA2R P21731 3/20 0.80
▸ SLC6A3 Q01959 3/20 0.80
▸ HRH3 Q9Y5N1 2/20 0.80
▸ ABCB11 O95342 2/20 0.80
▸ CYP2D6 P10635 9/20 0.74
▸ LMNA P02545 6/20 0.72
▸ CYP1A2 P05177 6/20 0.72
▸ PTGS1 P23219 4/20 0.72
▸ MAPK1 P28482 4/20 0.72

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
SCHEMBL6944155 1.00 HTR1A (0.80) HTR1ACHRM2CHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL18994 0.89 CHRM2 (1.00) HTR1ACHRM2CHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL18993 0.89 CHRM2 (1.00) HTR1ACHRM2CHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL29354434 0.89 CHRM2 (1.00) HTR1ACHRM2CHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL2774391 0.88 CHRM2 (0.97) HTR1ACHRM2CHRM1ADRA1AOPRM1
SCHEMBL13284571 0.86 CHRM2 (0.78) HTR1ACHRM2CHRM1ADRA1AOPRM1
Etymemazine SCHEMBL790986 0.85 CYP2D6 (1.00) HTR1ACHRM2CHRM1ADRA1AOPRM1
SCHEMBL21660442 0.84 CYP2D6 (0.78) HTR1ACHRM2CHRM1ADRA1AOPRM1
Dextromepromazine SCHEMBL23859840 0.84 CYP2D6 (1.00) HTR1ACHRM2CHRM1ADRA1AOPRM1
Etymemazine SCHEMBL142535 0.84 CYP2D6 (0.98) HTR1ACHRM2CHRM1ADRA1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — 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 (1 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HTR1A 3795/4885CHRM2 4564/4885CHRM1 4388/4885

“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.

Send feedback