SCHEMBL5869917

SCHEMBL5869917

CC(C)CC(NC(Cc1nc(CCC2CCCCC2)co1)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPPA P01160 3/20 0.42
MME P08473 3/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
REN P00797 4/20 0.35
ACE2 Q9BYF1 4/20 0.33
ACE P12821 3/20 0.33
SPHK1 Q9NYA1 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CYP3A4 P08684 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PSMB5 P28074 1/20 0.33
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8255171 1.00 NPPA (0.42) NPPAMMEMEN1KMT2ABCHE
SCHEMBL5869416 0.92 NPPA (0.40) NPPAMMEMEN1KMT2ABCHE
SCHEMBL8249944 0.92 NPPA (0.40) NPPAMMEMEN1KMT2ABCHE
SCHEMBL8430337 0.89 NPPA (0.40) NPPAMMEMEN1KMT2ABCHE
SCHEMBL8430320 0.82 NPPA (0.38) NPPAMMEMEN1KMT2ABCHE
SCHEMBL5870069 0.80 ADRB3 (0.37) MEN1KMT2ABCHERENACE2
SCHEMBL8255438 0.80 ADRB3 (0.37) MEN1KMT2ABCHERENACE2
SCHEMBL7419079 0.79 BCHE (0.37) NPPAMMEMEN1KMT2ABCHE
SCHEMBL8248393 0.78 REN (0.36) BCHERENACE2ACE
SCHEMBL5869650 0.78 REN (0.36) BCHERENACE2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-05-24 US disclosed
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2020-11-19 US disclosed
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 NPPA 521/4885MME 11/4885MEN1 3996/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR NPPA 669/4885MME 44/4885MEN1 3522/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR NPPA 669/4885MME 44/4885MEN1 3522/4885

“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.