SCHEMBL10127679

SCHEMBL10127679

CN1CCCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
HTR6 P50406 2/20 0.58
USP2 O75604 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ACHE P22303 1/20 0.54
CHRNA7 P36544 1/20 0.54
HTR1A P08908 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52

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
SCHEMBL2186097 0.92 L3MBTL1 (0.70) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL10127681 0.84 L3MBTL1 (0.82) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL12868035 0.84 BAZ2B (0.56) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL12351353 0.83 BAZ2B (0.60) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL18034943 0.83 KDM4E (0.64) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL620034 0.81 BAZ2B (0.86) BAZ2BALOX15HSD17B10
SCHEMBL2185371 0.80 CHRNA7 (0.64) BAZ2BL3MBTL1HTR6USP2CYP1A2
SCHEMBL10155118 0.80 CHRNA7 (0.82) BAZ2BL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL6826753 0.79 MAPT (0.60) BAZ2BL3MBTL1HSD17B10ACHE
SCHEMBL30704348 0.77 ACHE (0.67) ACHE

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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC BAZ2B 428/4885L3MBTL1 3615/4885HTR6 117/4885
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B BAZ2B 4245/4885L3MBTL1 2065/4885HTR6 1/4885

“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.