SCHEMBL2507803

SCHEMBL2507803

CCOC(=O)C1(N)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36

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
Hydrochloric Acid SCHEMBL1279085 0.98 ALOX15 (0.39) ALOX15MGAMGAASIMGAM2
SCHEMBL1812214 0.98 ALOX15 (0.39) ALOX15MGAMGAASIMGAM2
SCHEMBL1837607 0.98 ALOX15 (0.39) ALOX15MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL242120 0.96 SMN1; SMN2 (0.38) ALOX15MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL1812212 0.96 SMN1; SMN2 (0.38) ALOX15MGAMGAASIMGAM2
SCHEMBL571438 0.96 SMN1; SMN2 (0.44) ALOX15MGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL1279280 0.94 SMN1; SMN2 (0.42) ALOX15MGAMGAASIMGAM2
SCHEMBL372547 0.91
SCHEMBL22441532 0.89
Hydrochloric Acid SCHEMBL20447769 0.89 ALOX15 (0.42) ALOX15MGAMGAASIMGAM2

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317615-A1 PALLADIUM (II)-CATALYZED gammaC(SP3)-H ALKYNYLATION OF AMINE2 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-08 US claimed
US-10787418-B1 Palladium (II)-catalyzed γC(SP3)-H alkynylation of amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-29 US claimed
CN-101239974-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN claimed
CN-101239975-A Synthesis of 2-butyl-3-(2'-(1-trityl-1h-tetrazol-5-yl)biphenyl-4-yl)methyl-1,3-diazaspirol[4,4]-non-ene-4-one TEVA PHARMA (IL) 2008-08-13 CN claimed
EP-1590343-B1 SYNTHESIS OF 2-BUTYL-3-(2' -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIRO-4,4 -NONENE-4-ONE TEVA PHARMA (IL) 2008-07-16 EP claimed
US-7312340-B2 Synthesis of 2-butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-12-25 US claimed
US-20060128967-A1 Novel synthesis of 2-Butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one DOLITZKY BEN-ZION 2006-06-15 US claimed
CN-1771246-A Synthesis of 2-butyl-3- (2' - (1-trityl-1H-tetrazol-5-yl) biphenyl-4-yl) -1, 3-diazaspiro [4.4] non-en-4-one TEVA PHARMA (IL) 2006-05-10 CN claimed
EP-1590343-A1 SYNTHESIS OF 2-BUTYL-3-(2 -(1-TRITYL-1H-TETRAZOL-5-YL)BIPHEN YL-4-YL)-1,3-DIAZASPIROL 4,4 -NON-ENE-4-ONE Teva Pharmaceutical Industries Limited (IL) 2005-11-02 EP claimed
US-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one TEVA PHARMACEUTICALS USA, INC. 2004-12-02 US claimed
WO-2004072064-A1 SYNTHESIS OF 2-BUTYL-3-(2'-(1-TRITYL-1H-TETRAZOL-5-YL)BIPHENYL-4-YL)-1,3-DIAZASPIROL[4,4]-NON-ENE-4-ONE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-08-26 WO claimed
CN-113233993-B Ferulic acid amide derivative and synthetic method thereof 贵州大学 2022-07-01 CN disclosed
CN-113233993-A Ferulic acid amide derivative and synthetic method thereof 贵州大学 2021-08-10 CN disclosed
US-20200317615-A1 PALLADIUM (II)-CATALYZED gammaC(SP3)-H ALKYNYLATION OF AMINE2 COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-08 US disclosed
US-10787418-B1 Palladium (II)-catalyzed γC(SP3)-H alkynylation of amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-29 US disclosed
US-4898930-A Peptide derivatives and processes for their preparation SPOFA, SPOJENE PODNIKY PRO (CS) 1990-02-06 US disclosed
EP-0249434-A2 Peptide derivatives and processes for their preparation Vyzkumny ustav pro farmacii a biochemii (CZ) 1987-12-16 EP disclosed
US-4703037-A Angiotensin-converting enzyme inhibitors RORER PHARMACEUTICAL CORPORATION (US) 1987-10-27 US disclosed
US-4585758-A Angiotensin-converting enzyme inhibitors USV PHARMACEUTICAL CORP. (US) 1986-04-29 US disclosed
EP-0127090-A2 Angiotensin-converting enzyme inhibitors USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 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 (4 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-20040242894-A1 Novel synthesis of 2-butyl-3-(2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)-1,3-diazaspiro[4.4]-non-ene-4-one AGTR1, AGTR2, TEK ALOX15 2259/4885MGAM 3890/4885GAA 4080/4885
US-20200317615-A1 PALLADIUM (II)-CATALYZED gammaC(SP3)-H ALKYNYLATION OF AMINE2 POLE3, BUB3, POLR2H ALOX15 4745/4885MGAM 3519/4885GAA 3827/4885
US-20060128967-A1 Novel synthesis of 2-Butyl-3-(1-trityl-1H-tetrazol-5-YL)biphenyl-4-YL)-1,3-diazaspiro[4,4]- non-ene-4-one AGTR1, TEK, AGTR2 ALOX15 1581/4885MGAM 3566/4885GAA 4340/4885
US-10787418-B1 Palladium (II)-catalyzed γC(SP3)-H alkynylation of amines POLE3, BUB3, POLR2H ALOX15 4782/4885MGAM 3117/4885GAA 3722/4885

“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.