SCHEMBL1769995

SCHEMBL1769995

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
USP2 O75604 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.47
CYP17A1 P05093 2/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4728169 1.00 TSHR (0.56) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL6092329 0.82 KMT2A (0.48) KMT2AMEN1CYP17A1CYP19A1ALDH1A1
SCHEMBL6091141 0.82 FAAH (0.49) TSHRMAPK1NPSR1CYP1B1CYP3A4
SCHEMBL4731777 0.76 RAB9A (0.51) TSHRTP53MAPK1KMT2AMEN1
SCHEMBL4728914 0.76 RAB9A (0.51) TSHRTP53MAPK1KMT2AMEN1
SCHEMBL4726425 0.74 MAOA (0.47) KMT2AMEN1MAPTLMNA
SCHEMBL4729401 0.74 MAOA (0.47) KMT2AMEN1MAPTLMNA
SCHEMBL27494751 0.74 CYP1A1 (0.63) MAPK1NPSR1CYP1A1CYP1A2CYP1B1
SCHEMBL6090897 0.74 P2RX7 (0.46) MAPK1NPSR1CYP1A2CYP1B1MAPT
SCHEMBL18317449 0.74 RAB9A (0.45) CYP1B1KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO disclosed
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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 (2 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 TSHR 1591/4885USP2 3561/4885TP53 4882/4885
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 TSHR 1454/4885USP2 1777/4885TP53 4033/4885

“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.