SCHEMBL4010530

SCHEMBL4010530

O=C(CBr)N[C@H]1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
TSHR P16473 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 3/20 0.63
POLB P06746 2/20 0.62
DHODH Q02127 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 1/20 0.60
EPHX1 P07099 1/20 0.60
TAOK1 Q7L7X3 1/20 0.60
TAOK3 Q9H2K8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL4003611 1.00 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4009579 1.00 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL600235 0.91 ALDH1A1 (0.61) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL6390944 0.91 ALDH1A1 (0.61) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL4859453 0.89 ALDH1A1 (0.71) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL14414533 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL3729153 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL53323 0.85 ALDH1A1 (1.00) ALDH1A1TSHRHPGDHTTPOLB
SCHEMBL20990440 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH
SCHEMBL659023 0.85 ALDH1A1 (0.74) ALDH1A1TSHRHPGDHTTDHODH

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
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885TSHR 4192/4885HPGD 375/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ALDH1A1 88/4885TSHR 4192/4885HPGD 375/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 ALDH1A1 193/4885TSHR 4010/4885HPGD 247/4885

“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.