SCHEMBL6196129

SCHEMBL6196129

CC(CNC(=O)c1ccc(I)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 4/20 0.52
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
GPR139 Q6DWJ6 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
EPHX2 P34913 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6196126 1.00 NPC1 (0.57) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL5709362 0.89 NPC1 (0.67) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL2481230 0.89 NPC1 (0.67) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL8162012 0.86 NPC1 (0.61) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL3641034 0.82 FFAR1 (0.56) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL3057455 0.82 TACR1 (0.60) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL3641032 0.82 FFAR1 (0.56) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL27745006 0.78 MLYCD (0.47)
SCHEMBL20193690 0.77 RAB9A (0.52) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL4530460 0.77 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2TP53

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 NPC1 4245/4885RAB9A 4358/4885MAPT 3084/4885
US-20040092505-A1 Substituted aminoalkylamide derivatives as antagonists of follicle stimulating hormone FSHR, GNRHR, SHBG NPC1 4245/4885RAB9A 4358/4885MAPT 3084/4885

“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.