SCHEMBL3369853

SCHEMBL3369853

COc1cc2c(cc1OC)/C(=C/C#N)NCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ACHE P22303 1/20 0.42
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MAOA P21397 3/20 0.40

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
SCHEMBL31619838 1.00 MAPT (0.60) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL3369857 1.00 MAPT (0.60) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL23369357 0.91 PDE4A (0.56) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL7953943 0.76 MAPT (0.50) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL7953939 0.76 MAPT (0.50) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL3370337 0.75 ALDH1A1 (0.56) MAPTALDH1A1MAPK1KMT2AACHE
SCHEMBL3370335 0.75 ALDH1A1 (0.56) MAPTALDH1A1MAPK1KMT2AACHE
SCHEMBL6476988 0.75 KMT2A (0.68) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL6476999 0.75 KMT2A (0.68) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL6476994 0.75 KMT2A (0.68) MAPTALDH1A1MAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641792-B1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2010-08-25 EP disclosed
EP-1641457-B1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS NYCOMED GMBH (DE) 2009-08-05 EP disclosed
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors ALTANA PHARMA AG (DE) 2007-05-10 US disclosed
US-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors ALTANA PHARMA AG (DE) 2006-07-06 US disclosed
EP-1641457-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
EP-1641792-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA Pharma AG (DE) 2006-04-05 EP disclosed
WO-2005002579-A1 PYRROLO-DIHYDROISOQUINOLINE DERIVATIVES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO disclosed
WO-2005003129-A1 PYRROLODIHYDROISOQUINOLINES AS PDE10 INHIBITORS ALTANA PHARMA AG (DE) 2005-01-13 WO disclosed
EP-1129076-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2001-09-05 EP disclosed
WO-2000029380-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS ABBOTT LABORATORIES (US) 2000-05-25 WO disclosed
US-5981521-A USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION ABBOTT LABORATORIES (US) 1999-11-09 US disclosed
US-4598148-A HYPOTENSIVE AGENTS, BRONCHODIALTORS ANTIALLERGENS HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
US-4482556-A HYPOTENSIVE AGENTS, BRONCHODILATORS, ANTIALLERGENS HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
US-4163786-A Thiazoloisoquinolines with coronary and respiratory effects CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS LTD. (HU) 1979-08-07 US disclosed
US-3979397-A Pharmaceutically effective novel 3,4-dihydro-1,2- and 1,3-thiozolo [4,3a] is CHINOIN PHARMACEUTICAL AND CHEMICAL WORKS LTD. (HU) 1976-09-07 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 (2 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-20060148840-A1 Pyrrolodihydroisoquinolines as pde10 inhibitors PDE12, PDE3A, PDE3B MAPT 3379/4885ALDH1A1 848/4885MAPK1 1915/4885
US-20070105840-A1 Pyrrolo-dihydroisoquinoline derivatives as pde10 inhibitors PDE12, PDE2A, PDE5A MAPT 1795/4885ALDH1A1 665/4885MAPK1 1254/4885

“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.