SCHEMBL4318359

SCHEMBL4318359

O=C(O)c1cccc2c1c(CCN[C@@H]1CN3CCC1CC3)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.44
HTR6 P50406 11/20 0.43
DRD2 P14416 1/20 0.41
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL4318361 1.00 HTR3A (0.44) HTR3AHTR6DRD2AKR1C3AKR1C1
SCHEMBL701006 0.99 HTR3A (0.43) HTR3AHTR6DRD2AKR1C3AKR1C1
Lithium Ion SCHEMBL700947 0.92 HTR3A (0.42) HTR3AHTR6DRD2CYP1A2CHRM2
SCHEMBL700100 0.91 MEN1 (0.48) HTR3AHTR6DRD2CYP1A2CHRM2
SCHEMBL700099 0.91 MEN1 (0.48) HTR3AHTR6DRD2CYP1A2CHRM2
SCHEMBL1672238 0.85 HTR6 (0.41) HTR3AHTR6DRD2HTR1D
SCHEMBL4324940 0.83 CHRM2 (0.48) CYP1A2CHRM2CHRM4ADRA2ACYP2D6
SCHEMBL4325921 0.83 CHRM2 (0.48) CYP1A2CHRM2CHRM4ADRA2ACYP2D6
SCHEMBL4324945 0.83 CHRM2 (0.48) CYP1A2CHRM2CHRM4ADRA2ACYP2D6
SCHEMBL700017 0.82 CHRM2 (0.47) CYP1A2CHRM2CHRM4ADRA2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 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 (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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR6 8/4885DRD2 136/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR6 8/4885DRD2 136/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR6 8/4885DRD2 136/4885

“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.