SCHEMBL2890163

SCHEMBL2890163

CCNc1ccccc1C(C)Nc1ccccc1Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.54
SLC6A4 P31645 11/20 0.54
KCNH2 Q12809 7/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL13028225 1.00 HTR2A (0.54) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2888418 0.85 HTR2A (0.54) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL2892491 0.83 HTR2A (0.58) HTR2ASLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL13028234 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2LMNASMN1; SMN2
SCHEMBL2890300 0.81 HTR2A (0.52) HTR2ASLC6A4KCNH2LMNASMN1; SMN2
SCHEMBL13028326 0.77 HTR2A (0.51) HTR2ASLC6A4KCNH2LMNASMN1; SMN2
SCHEMBL2890310 0.77 HTR2A (0.51) HTR2ASLC6A4KCNH2LMNASMN1; SMN2
SCHEMBL13028226 0.77 HTR2A (0.46) HTR2ASLC6A4SLC6A2SLC6A3LMNA
SCHEMBL2888447 0.77 HTR2A (0.46) HTR2ASLC6A4SLC6A2SLC6A3LMNA
SCHEMBL13067611 0.75 HTR2A (0.56) HTR2ASLC6A4KCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 HTR2A 1938/4885SLC6A4 1489/4885KCNH2 1573/4885

“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.