SCHEMBL1662293

SCHEMBL1662293

O=C(O)CCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CHRM1 P11229 1/20 0.39
APEX1 P27695 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FFAR1 O14842 11/20 0.38
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PIN1 Q13526 1/20 0.37
S1PR1 P21453 1/20 0.36
PPARG P37231 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
SCHEMBL1661108 0.92 ALDH1A1 (0.39) CYP1A2CYP2C9HSD17B10MTNR1AMTNR1B
SCHEMBL1661482 0.85 SIRT1 (0.42) HSD17B10MTNR1AMTNR1BKDM4EPPARG
SCHEMBL5780813 0.84 MTNR1A (0.42) HSD17B10MTNR1AMTNR1BKDM4E
SCHEMBL5178946 0.81 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL5778675 0.79 RHEB (0.37) MTNR1AMTNR1BKDM4E
SCHEMBL29417817 0.78 MTNR1A (0.60) CYP1A2CYP2C9HSD17B10MTNR1AMTNR1B
SCHEMBL694595 0.78 ADORA1 (0.39) HSD17B10MTNR1AMTNR1BKDM4E
SCHEMBL606161 0.78 MTNR1A (0.60) CYP1A2CYP2C9HSD17B10MTNR1AMTNR1B
SCHEMBL5777901 0.78 MTNR1A (0.41) HSD17B10MTNR1AMTNR1BKDM4E
SCHEMBL5777826 0.78 MTNR1A (0.68) CYP1A2CYP2C9HSD17B10MTNR1AMTNR1B

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
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO 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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 CYP1A2 1690/4885CYP2C9 3802/4885HSD17B10 2290/4885

“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.