SCHEMBL314678

SCHEMBL314678

C[C@@H]1CNc2cc(Cl)ccc2-n2c(-c3ccccc3)nnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
BRD4 O60885 8/20 0.40
GABRA1 P14867 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
OPRK1 P41145 2/20 0.40
GABRA2 P47869 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CNR1 P21554 1/20 0.40
GABRB2 P47870 1/20 0.40
AVPR1A P37288 2/20 0.39
GLA P06280 1/20 0.38
AKT1 P31749 2/20 0.37
TNKS2 Q9H2K2 1/20 0.35
GABRG2 P18507 1/20 0.35
HTR2A P28223 1/20 0.35
GABRB3 P28472 1/20 0.35
ADRA1A P35348 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL314677 1.00 HSD11B1 (0.41) HSD11B1BRD4GABRA1GABRA5GABRA3
SCHEMBL314679 1.00 HSD11B1 (0.41) HSD11B1BRD4GABRA1GABRA5GABRA3
SCHEMBL316360 0.93 BRD4 (0.41) HSD11B1BRD4AVPR1AGLAAKT1
SCHEMBL316358 0.93 BRD4 (0.41) HSD11B1BRD4AVPR1AGLAAKT1
SCHEMBL316359 0.93 BRD4 (0.41) HSD11B1BRD4AVPR1AGLAAKT1
SCHEMBL315183 0.92 TP53 (0.43) HSD11B1BRD4GABRA1GABRA5GABRA3
SCHEMBL315184 0.92 TP53 (0.43) HSD11B1BRD4GABRA1GABRA5GABRA3
SCHEMBL315182 0.92 TP53 (0.43) HSD11B1BRD4GABRA1GABRA5GABRA3
SCHEMBL314492 0.91 ALDH1A1 (0.41) BRD4GABRA1GABRA5GABRA3OPRK1
SCHEMBL314493 0.91 ALDH1A1 (0.41) BRD4GABRA1GABRA5GABRA3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 HSD11B1 1123/4885BRD4 808/4885GABRA1 695/4885

“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.