SCHEMBL373790

SCHEMBL373790

COCC1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.57
SLC6A3 Q01959 7/20 0.57
SLC6A2 P23975 6/20 0.57
DRD2 P14416 1/20 0.50
TACR1 P25103 8/20 0.49
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL10266904 0.83 TACR1 (0.49) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL2274185 0.83 TACR1 (0.64) SLC6A4TACR1KCNH2
Hydrochloric Acid SCHEMBL3252159 0.81 TACR1 (0.62) SLC6A4TACR1KCNH2
SCHEMBL8042316 0.81 DRD2 (0.55) SLC6A4SLC6A3SLC6A2DRD2TACR1
Hydrochloric Acid SCHEMBL23858290 0.79 DRD2 (0.53) SLC6A4SLC6A3SLC6A2DRD2TACR1
SCHEMBL16565196 0.79 SLC6A4 (0.52) SLC6A4SLC6A3SLC6A2TACR1KCNH2
SCHEMBL21078004 0.78 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2DRD2TACR1
SCHEMBL188283 0.77 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2DRD2TACR1
SCHEMBL3485923 0.77 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2DRD2TACR1
SCHEMBL723702 0.77 DRD2 (0.47) SLC6A4SLC6A3SLC6A2DRD2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (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-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SLC6A4 2749/4885SLC6A3 3502/4885SLC6A2 2668/4885
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SLC6A4 2666/4885SLC6A3 3170/4885SLC6A2 4282/4885

“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.