SCHEMBL4944251

SCHEMBL4944251

CCC(CC)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.68
HTR2A P28223 6/20 0.68
HTR7 P34969 3/20 0.47
NTSR1 P30989 1/20 0.45
PRMT5 O14744 3/20 0.42
SLC6A2 P23975 2/20 0.40
KRAS P01116 2/20 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
SCHEMBL3360221 0.89 HTR2C (0.58) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL22930137 0.86 HTR2C (0.70) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL12474064 0.83 HTR2C (0.77) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL22930091 0.83 HTR2C (0.58) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL3478164 0.81 HTR2A (0.63) HTR2CHTR2AHTR7NTSR1SLC6A2
SCHEMBL8959569 0.81 HTR2C (0.72) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL9232987 0.81 HTR2C (1.00) HTR2CHTR2AHTR7NTSR1
SCHEMBL8959574 0.81 HTR2C (0.72) HTR2CHTR2AHTR7NTSR1PRMT5
SCHEMBL8959875 0.81 HTR2C (1.00) HTR2CHTR2AHTR7NTSR1
SCHEMBL8959885 0.81 HTR2C (1.00) HTR2CHTR2AHTR7NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 HTR2C 1298/4885HTR2A 822/4885HTR7 673/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 HTR2C 1292/4885HTR2A 815/4885HTR7 666/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT HTR2C 564/4885HTR2A 325/4885HTR7 414/4885

“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.