Sugi Predict

Sugi Predict / Compounds / SCHEMBL1752582

SCHEMBL1752582

SCHEMBL1752582

COC(=O)C1=C(c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.40
▸ ESR2 Q92731 1/20 0.38
▸ PGK1 P00558 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.37
▸ NR1H2 P55055 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL1751769 0.92 ESR2 (0.39) ACACBESR2PGK1GPR119NR1H2
SCHEMBL1751338 0.88 CYP3A4 (0.41) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL13538270 0.81 CHRM5 (0.36) ESR2MEN1KMT2ACHRM2CHRM4
SCHEMBL1751975 0.80 CYP3A4 (0.42) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL1750421 0.80 PIK3CD (0.42) PGK1PIK3CDRETNPBWR1MCHR1
SCHEMBL1751618 0.80 REN (0.59) —
SCHEMBL1751301 0.79 REN (0.54) —
SCHEMBL5941947 0.78 CHRM5 (0.40) ACACBESR2PGK1GPR119NR1H2
SCHEMBL3194232 0.77 SLC6A3 (0.57) ESR2NR1H2
SCHEMBL3197517 0.76 SLC6A3 (0.54) ESR2NR1H2MEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968720-B2 Secondary amines as renin inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2011-06-28 — — US disclosed
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES BEZENCON OLIVIER 2010-12-23 — — US disclosed
US-7799805-B2 Piperidine carboxylic acid amide derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-21 — — US disclosed
US-20090176823-A1 Secondary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2009-07-09 — — US disclosed
US-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2008-09-04 — — 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-20080214598-A1 Novel Piperidine Carboxylic Acid Amide Derivatives REN, ACE, AGTR2 ACACB 214/4885ESR2 3277/4885PGK1 1598/4885
US-20100324052-A1 NOVEL PIPERIDINE CARBOXYLIC ACID AMINE DERIVATIVES REN, ACE, AGTR2 ACACB 416/4885ESR2 3367/4885PGK1 1393/4885
US-20090176823-A1 Secondary Amines as Renin Inhibitors REN, ACE, AGTR1 ACACB 2313/4885ESR2 3079/4885PGK1 1964/4885

“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.