SCHEMBL16640421

SCHEMBL16640421

O=C1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.56
KCNH2 Q12809 1/20 0.46
GRIN2B Q13224 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL28079360 0.78 RORC (0.53) RORCGRIN2BLMNATP53MAPT
SCHEMBL264850 0.77 RORC (0.52) RORCGRIN2BLMNATP53MAPT
SCHEMBL2789725 0.77 RORC (0.52) RORCGRIN2BLMNATP53MAPT
SCHEMBL10841567 0.77 RORC (0.52) RORCTSHRMAPT
SCHEMBL5226630 0.77 RORC (0.52) RORCGRIN2BLMNATP53MAPT
SCHEMBL14398514 0.77 RORC (0.49) RORCRXFP1LMNATP53MAPT
Hydrochloric Acid SCHEMBL5258121 0.76 RORC (0.51) RORCGRIN2BLMNATP53MAPT
Hydrochloric Acid SCHEMBL3457382 0.76 RORC (0.51) RORCGRIN2BLMNATP53MAPT
SCHEMBL7805639 0.76 PER2 (0.51) KCNH2GRIN2BRXFP1
SCHEMBL6581110 0.76 PER2 (0.51) KCNH2GRIN2BRXFP1

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
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 RORC 2438/4885KCNH2 1665/4885GRIN2B 385/4885

“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.