SCHEMBL674065

SCHEMBL674065

O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1ccc(Cl)nc1OCCF

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.41
CNR2 P34972 7/20 0.40
IDH1 O75874 6/20 0.40
CNR1 P21554 6/20 0.40
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 1/20 0.38
PTGES O14684 2/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL10091473 1.00 SLC6A12 (0.41) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL674066 1.00 SLC6A12 (0.41) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL674114 0.98 SLC6A12 (0.39) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL674115 0.98 SLC6A12 (0.39) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL672045 0.91 CNR1 (0.42) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL672044 0.91 CNR1 (0.42) SLC6A12CNR2IDH1CNR1HPGD
2-Methoxyethanol SCHEMBL675311 0.89 CNR1 (0.39) SLC6A12CNR2IDH1CNR1PTGES
2-Methoxyethanol SCHEMBL675312 0.89 CNR1 (0.39) SLC6A12CNR2IDH1CNR1PTGES
SCHEMBL674098 0.86 PTGES (0.47) SLC6A12CNR2IDH1CNR1HPGD
SCHEMBL674097 0.86 PTGES (0.47) SLC6A12CNR2IDH1CNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES SLC6A12 4841/4885CNR2 85/4885IDH1 3113/4885

“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.