SCHEMBL12409671

SCHEMBL12409671

CCc1ccc(C(=O)N2CC[C@@H](O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.51
MGLL Q99685 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
ADRB2 P07550 2/20 0.48
HDAC4 P56524 1/20 0.48
GRM3 Q14832 2/20 0.48
VNN1 O95497 1/20 0.47
SLC6A7 Q99884 1/20 0.47
GRM5 P41594 1/20 0.47
L3MBTL3 Q96JM7 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL10076237 1.00 CYP11B2 (0.51) CYP11B2MGLLKMT2AMEN1CYP1A2
SCHEMBL1912094 0.96 SLC6A7 (0.53) CYP11B2MGLLKMT2AMEN1CYP1A2
SCHEMBL10076236 0.91 GRM5 (0.56) MGLLKMT2AMEN1CYP1A2CYP3A4
SCHEMBL17850465 0.87 ALDH1A1 (0.48) MGLLKMT2AMEN1CYP1A2CYP3A4
SCHEMBL18616788 0.85 CYP11B2 (0.48) CYP11B2KMT2AHDAC4GRM3VNN1
SCHEMBL13920471 0.85 LOXL2 (0.51) CYP11B2KMT2AHDAC4GRM3VNN1
SCHEMBL13920470 0.85 LOXL2 (0.51) CYP11B2KMT2AHDAC4GRM3VNN1
SCHEMBL12309795 0.85 KMT2A (0.57) MGLLKMT2AMEN1CYP1A2CYP3A4
SCHEMBL12510763 0.84 CYP11B2 (0.48) CYP11B2KMT2AHDAC4GRM3VNN1
SCHEMBL9906900 0.84 VNN1 (0.50) CYP11B2KMT2AHDAC4GRM3VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC CYP11B2 190/4885MGLL 4369/4885KMT2A 4415/4885

“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.