SCHEMBL3390324

SCHEMBL3390324

COc1ccccc1CSc1cccc(CCCNC(=O)C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL5071533 0.80 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL1710474 0.79 MTNR1A (0.45) MEN1KMT2AMTNR1AMTNR1BHPGD
SCHEMBL1710695 0.78 FDFT1 (0.43) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL1722881 0.77 SMN1; SMN2 (0.40) MEN1KMT2AMTNR1AMTNR1BHPGD
SCHEMBL1722879 0.77 SMN1; SMN2 (0.40) MEN1KMT2AMTNR1AMTNR1BHPGD
SCHEMBL1710758 0.77 TAAR1 (0.48) PPARGPPARA
SCHEMBL5073509 0.77 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL612172 0.76 ABCB1 (0.54) MTNR1AMTNR1B
SCHEMBL1722231 0.76 POLB (0.42) MTNR1AMTNR1B
SCHEMBL5073633 0.76 MTNR1A (0.71) MEN1KMT2AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP claimed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US claimed
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP disclosed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
US-20070021399-A1 Amido-amino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
EP-1745777-A1 Amido-aminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 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 (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-20070021399-A1 Amido-amino alcohols as therapeutic compounds CTSD, BACE1, CTSL PPARG 2090/4885PPARA 1977/4885MEN1 2839/4885
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 PPARG 3522/4885PPARA 3643/4885MEN1 1979/4885
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 PPARG 437/4885PPARA 1299/4885MEN1 4678/4885

“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.