SCHEMBL2185371

SCHEMBL2185371

CN1CCc2[nH]c3cc(F)ccc3c2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
HTR6 P50406 5/20 0.57
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
BAZ2B Q9UIF8 1/20 0.52
HTR1A P08908 2/20 0.52
HTR2C P28335 2/20 0.52
HTR7 P34969 2/20 0.52
SIRT2 Q8IXJ6 1/20 0.51
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 2/20 0.49
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48

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 0.88 L3MBTL1 (0.70) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL16624341 0.88 KDM4E (0.64) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL16624103 0.84 BAZ2B (0.51) CHRNA7L3MBTL1HTR6BAZ2BGAA
SCHEMBL15977201 0.84 L3MBTL1 (0.76) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL168351 0.82 CHRNA7 (0.64) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL27099161 0.82 CHRNA7 (0.64) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL2190105 0.82 L3MBTL1 (0.61) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL2190132 0.82 CHRNA7 (0.59) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL167846 0.81 CHRNA7 (0.62) CHRNA7L3MBTL1HTR6ALOX15HSD17B10
SCHEMBL20890503 0.80 CHRNA7 (0.61) CHRNA7L3MBTL1HTR6ALOX15HSD17B10

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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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 (4 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CHRNA7 72/4885L3MBTL1 2178/4885HTR6 13/4885
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H CHRNA7 776/4885L3MBTL1 1436/4885HTR6 1200/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CHRNA7 72/4885L3MBTL1 2178/4885HTR6 13/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A CHRNA7 72/4885L3MBTL1 2178/4885HTR6 13/4885

“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.