SCHEMBL6179006

SCHEMBL6179006

C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 2/20 0.56
▸ GBA1 P04062 1/20 0.54
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP7 P09237 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ PKM P14618 1/20 0.47

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
SCHEMBL27287741 1.00 GRIA4 (0.56) GRIA4GBA1LMNAMAPTTP53
SCHEMBL28762486 0.82 GBA1 (0.55) GRIA4GBA1LMNAMAPTTP53
SCHEMBL2934786 0.82 ALDH1A1 (0.67) GBA1ALDH1A1CYP19A1SIGMAR1MMP1
SCHEMBL9512047 0.79 IDO1 (0.60) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL3412348 0.79 CA1 (0.52) GBA1ALDH1A1CYP19A1SIGMAR1MMP1
SCHEMBL6321465 0.79 CA1 (0.52) GBA1ALDH1A1CYP19A1SIGMAR1MMP1
SCHEMBL6324078 0.79 SIGMAR1 (0.51) GBA1ALDH1A1CYP19A1SIGMAR1MMP1
SCHEMBL3412102 0.79 CA1 (0.52) GBA1ALDH1A1CYP19A1SIGMAR1MMP1
SCHEMBL5504602 0.79 MMP1 (0.49) GBA1LMNAMAPTKMT2AMEN1
SCHEMBL9765326 0.78 GRIA4 (0.63) GRIA4GBA1LMNAMAPTTP53

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
EP-1244617-B1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO MCNEIL PHARM INC (US) 2005-02-16 — — EP disclosed
US-20040092505-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone COATS STEVEN J (US) 2004-05-13 — — US disclosed
US-6583179-B2 For therapy of uterine fibroids, endometriosis, polycystic ovarian disease, dysfunctional uterine bleeding, breast cancer and ovarian cancer; depletion of oocytes; spermatocyte depletion; for female and male contraception ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 — — US disclosed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 — — EP disclosed
US-20020058654-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-16 — — US disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 — — WO 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 (2 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-20020058654-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone FSHR, GNRHR, SHBG GRIA4 488/4885GBA1 2608/4885LMNA 4290/4885
US-20040092505-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone FSHR, GNRHR, SHBG GRIA4 488/4885GBA1 2608/4885LMNA 4290/4885

“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.

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