SCHEMBL5778972

SCHEMBL5778972

CC1NCCc2ccc(CO)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.54
DRD2 P14416 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2C9 P11712 1/20 0.54
DRD3 P35462 1/20 0.54
HIF1A Q16665 1/20 0.54
DRD4 P21917 1/20 0.54
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
RIN1 Q13671 1/20 0.38

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
SCHEMBL20884606 0.85 MAOA (0.51) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL22180431 0.81 MAOA (0.47) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL20884017 0.81 MAOA (0.47) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL21470621 0.78 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL30199335 0.78 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL5682329 0.78 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL24528777 0.78 MAOA (0.44) MAOADRD2TSHRHSD17B10KDM4E
Bromide SCHEMBL5680654 0.77 MAOA (0.65) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL19512604 0.76 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1011743 0.76 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683710-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-19 EP disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 MAOA 471/4885DRD2 2833/4885TSHR 572/4885

“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.