SCHEMBL373427

SCHEMBL373427

O=C(c1ccc(F)cc1)C1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MCHR1 Q99705 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CACNA1G O43497 5/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10924212 0.97 SLC6A12 (0.53) SLC6A12TMEM97MCHR1SIGMAR1CYP2D6
SCHEMBL12209668 0.88 HTR2A (0.58)
SCHEMBL2702170 0.86 ALDH1A1 (0.55) CACNA1GCYP2D6MEN1KMT2A
SCHEMBL224662 0.84 SLC6A12 (0.55) SLC6A12TMEM97MCHR1SIGMAR1CYP2D6
SCHEMBL8347203 0.84 CACNA1G (0.49) CACNA1GCYP2D6MAPK1MEN1KMT2A
SCHEMBL10923597 0.83 DRD2 (0.58) SLC6A12TMEM97MCHR1SIGMAR1CYP2D6
SCHEMBL229443 0.83 SIGMAR1 (0.54) SLC6A12TMEM97MCHR1SIGMAR1CYP2D6
SCHEMBL8347214 0.82 CACNA1G (0.48) CACNA1GCYP2D6MAPK1MEN1KMT2A
SCHEMBL9378157 0.82 DRD2 (0.54)
SCHEMBL6110923 0.78 OPRL1 (0.79) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104069112-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-10-01 CN disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
CN-101827852-B Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-07-30 CN 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-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
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
CN-101827852-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2010-09-08 CN 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

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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SLC6A12 4450/4885TMEM97 2506/4885MCHR1 3782/4885

“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.