SCHEMBL2899064

SCHEMBL2899064

O=C(O)C1(O)CCCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
HIF1A Q16665 2/20 0.40
SLC6A9 P48067 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1C1 Q04828 1/20 0.39
USP2 O75604 2/20 0.38
SLC18A3 Q16572 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3836402 0.77 CYP3A4 (0.39) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
SCHEMBL15059997 0.77 FFAR1 (0.44) CYP3A4CYP2C19HIF1AFFAR1AKR1C1
SCHEMBL2008405 0.77 AVPR1A (0.40) USP2ALDH1A1HSD17B10CYP1A2TSHR
SCHEMBL27627652 0.76 CYP2C19 (0.38) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
SCHEMBL474607 0.76 CYP3A4 (0.44) CYP3A4CYP2C19HIF1AFFAR1AKR1C1
SCHEMBL2733709 0.76 NR1H2 (0.52) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
SCHEMBL30668922 0.76 NR1H2 (0.52) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
SCHEMBL2733711 0.76 NR1H2 (0.52) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
Hydrochloric Acid SCHEMBL29256930 0.75 NR1H2 (0.51) CYP3A4CYP2C19HIF1ASLC6A9OPRM1
Hydrochloric Acid SCHEMBL29256931 0.75 NR1H2 (0.51) CYP3A4CYP2C19HIF1ASLC6A9OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718802-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2010-05-18 US disclosed
US-7326707-B2 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES INCORPORATED (US) 2008-02-05 US disclosed
WO-2005102340-A1 PIPERAZINE MELANOCORTIN-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2005-11-03 WO disclosed
US-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders PALATIN TECHNOLOGIES, INC. (US) 2005-08-11 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 (1 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-20050176728-A1 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders MC3R, MC4R, MC1R CYP3A4 2689/4885CYP2C19 1626/4885HIF1A 3939/4885

“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.