SCHEMBL14101793

SCHEMBL14101793

CNC(=O)NC[C@@H]1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRB2 P47870 2/20 0.47
SLC6A12 P48065 2/20 0.47
SLC6A11 P48066 2/20 0.47
SLC6A13 Q9NSD5 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRA4 P48169 1/20 0.47
EPHX1 P07099 2/20 0.45
EPHX2 P34913 1/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
NAMPT P43490 3/20 0.39
MAPK1 P28482 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13841559 1.00 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL14365692 1.00 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL14365673 0.90 PBK (0.43) SLC6A1SLC6A11SLC6A13EPHX1EPHX2
SCHEMBL21551277 0.89 ALOX15 (0.56) EPHX1EPHX2ALOX15TSHRSMYD3
Hydrochloric Acid SCHEMBL21551449 0.87 ALOX15 (0.54) EPHX1EPHX2ALOX15TSHRSMYD3
SCHEMBL15165338 0.84 SLC6A1 (0.46) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL617850 0.81 ALOX15 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9044696 0.81 ALOX15 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL617644 0.81 ALOX15 (0.51) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL715763 0.80 ALOX15 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953163-A1 Pteridinone derivatives as PI3-kinases inhibitors Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA SLC6A1 524/4885GABRA5 799/4885GABRB2 1360/4885

“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.