SCHEMBL9047205

SCHEMBL9047205

Fc1ccc2[nH]cc(CCCN3CCNCC3)c2c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.85
MPO P05164 5/20 0.81
SLC6A4 P31645 2/20 0.69
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
HTR7 P34969 5/20 0.62
KCNH2 Q12809 2/20 0.62
ADRA1A P35348 1/20 0.62

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
SCHEMBL739944 0.96 HTR1A (0.79) HTR1AMPOSLC6A4HTR1DHTR1B
SCHEMBL9635445 0.84 MPO (0.73) HTR1AMPOSLC6A4
SCHEMBL10072404 0.82 HTR1A (0.81) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL17249759 0.82 HTR1A (0.67) HTR1AHTR1DHTR1B
SCHEMBL30468393 0.82 HTR1A (0.67) HTR1AHTR1DHTR1B
SCHEMBL8557344 0.82 HTR1A (0.76) HTR1AMPOSLC6A4HTR7KCNH2
SCHEMBL26508398 0.81 MPO (0.94) HTR1AMPOSLC6A4HTR1DHTR1B
SCHEMBL1377300 0.81 HTR1A (0.83) HTR1ASLC6A4HTR1DHTR1BHTR7
SCHEMBL733997 0.81 MPO (1.00) HTR1AMPOHTR1DHTR1BHTR7
SCHEMBL29515418 0.80 MPO (0.80) HTR1AMPOSLC6A4HTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015014256-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 WO disclosed
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION FABRE-KRAMER PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
EP-0714896-A1 INDOL DERIVATIVES USEFUL FOR THE TREATMENT OF MIGRAINE, COMPOSITION AND UTILIZATION VITA-INVEST, S.A. (ES) 1996-06-05 EP 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-20090281114-A1 INDOLYLALKYL DERIVATIVES OF PYRIMIDINYLPIPERAZINE AND METABOLITES THEREOF FOR TREATMENT OF ANXIETY, DEPRESSION, AND SEXUAL DYSFUNCTION HTR5A, TPH2, IDO2 HTR1A 15/4885MPO 592/4885SLC6A4 104/4885

“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.