SCHEMBL9480697

SCHEMBL9480697

O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.80
DRD2 P14416 12/20 0.80
HTR2A P28223 10/20 0.80
HTR7 P34969 10/20 0.80
HTR6 P50406 10/20 0.80
DRD4 P21917 3/20 0.80
DRD3 P35462 3/20 0.80
ABCB11 O95342 1/20 0.80
ALDH1A1 P00352 1/20 0.80
CYP1A2 P05177 1/20 0.80
ADRA2A P08913 1/20 0.80
CYP2D6 P10635 1/20 0.80
ADRA2B P18089 1/20 0.80
ADRA2C P18825 1/20 0.80
ADRA1D P25100 1/20 0.80
CYP2C19 P33261 1/20 0.80
ADRA1A P35348 1/20 0.80
ADRA1B P35368 1/20 0.80
DRD5 P21918 2/20 0.67

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
SCHEMBL9400972 0.89 DRD2 (0.80) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9480686 0.89 DRD2 (0.80) HTR1ADRD2HTR2AHTR7HTR6
Ipsapirone SCHEMBL79574 0.89 DRD2 (1.00) HTR1ADRD2HTR2AHTR7HTR6
Ipsapirone SCHEMBL29356316 0.89 DRD2 (1.00) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400978 0.88 DRD2 (0.78) HTR1ADRD2HTR2AHTR7HTR6
Ipsapirone SCHEMBL121856 0.88 DRD2 (0.98) HTR1ADRD2HTR2AHTR7HTR6
Revospirone SCHEMBL1932725 0.87 HTR1A (1.00) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9480100 0.87 DRD2 (0.76) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9480709 0.86 HTR1A (0.78) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9400959 0.85 HTR1A (0.76) HTR1ADRD2HTR2AHTR7HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-5187276-A Anxiolytics, neuroleptics, antidepressants, and nootropic agents TROPONWERKE GMBH & CO. KG. (DE) 1993-02-16 US disclosed
US-4988809-A CENTRAL NERVOUS SYSTEM TROPONWERKE GMBH & CO., KG (DE) 1991-01-29 US disclosed
US-4937343-A NEUROLEPTICS OR ANTIDEPRESSANTS TROPONWERKE GMBH & CO. KG (DE) 1990-06-26 US disclosed
US-4818756-A CENTRAL NERVOUS SYSTEM DISORDERS TROPONWERKE GMBH & CO., KG (DE) 1989-04-04 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A HTR1A 7/4885DRD2 242/4885HTR2A 5/4885

“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.