SCHEMBL4049148

SCHEMBL4049148

CCN(CC)Cc1ccccc1Br

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.81
HSD17B10 Q99714 2/20 0.73
CYP1A2 P05177 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C19 P33261 2/20 0.73
NFKB1 P19838 1/20 0.73
LMNA P02545 2/20 0.71
BLM P54132 1/20 0.71
PYCR1 P32322 1/20 0.50
TAAR1 Q96RJ0 3/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8483664 0.86 TSHR (0.67) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL29389684 0.85 TSHR (1.00) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL22340503 0.85 TSHR (0.67) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL693529 0.85 TSHR (1.00) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL29390714 0.84 LMNA (1.00) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL2268042 0.84 LMNA (1.00) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL7768256 0.84 TSHR (0.57) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL31153347 0.84 TSHR (0.57) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL6226217 0.81 PYCR1 (0.62) TSHRHSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL6932425 0.79 TSHR (0.58) TSHRHSD17B10CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
EP-1720613-A4 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL MYERS SQUIBB CO (US) 2009-05-06 EP disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 EP disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed
US-4057565-A OXYGEN SCAVENGERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-11-08 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 TSHR 4264/4885HSD17B10 10/4885CYP1A2 244/4885

“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.