SCHEMBL9952071

SCHEMBL9952071

[c]1cnc(-c2ccc3c(c2)CCN3)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 1/20 0.40
PIK3CD O00329 1/20 0.37
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ASIC3 Q9UHC3 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNIK Q9UKE5 1/20 0.32
APP P05067 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL28429341 0.76 DRD2 (0.45) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL28403784 0.75 DRD2 (0.63) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL29756191 0.75 DRD2 (0.63) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL4525557 0.69 PDE3B (0.56) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL9090100 0.68 NISCH (0.46) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL1436033 0.67 KDM4E (0.63) DRD2DRD4S1PR1PIK3CDKDM4E
SCHEMBL31266571 0.67 DRD2 (0.49) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL27572419 0.66 DRD2 (0.72) DRD2DRD4S1PR1KDM4EMAPT
SCHEMBL19969998 0.66 DRD2 (0.52) DRD2DRD4S1PR1S1PR3PIK3CD
SCHEMBL8528347 0.66 DRD2 (0.47) DRD2DRD4S1PR1PIK3CDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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 (3 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 DRD2 4743/4885DRD4 4418/4885S1PR1 4638/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 DRD2 4743/4885DRD4 4418/4885S1PR1 4638/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 DRD2 4743/4885DRD4 4418/4885S1PR1 4638/4885

“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.