SCHEMBL1592979

SCHEMBL1592979

Nc1nccc2c1CCNC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.56
NOS1 P29475 1/20 0.56
NOS2 P35228 1/20 0.56
CD44 P16070 2/20 0.53
PNMT P11086 6/20 0.39
MAOB P27338 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ASIC3 Q9UHC3 2/20 0.36
PKN2 Q16513 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34

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
SCHEMBL1593053 0.85 NOS3 (0.56) NOS3NOS1NOS2CD44PNMT
SCHEMBL19153131 0.78 CD44 (0.44) CD44PNMTMAOBCHRNB2CHRNA4
SCHEMBL16784815 0.78 CD44 (0.44) CD44PNMTMAOBCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL15269387 0.76 CD44 (0.43) CD44PNMTMAOBCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL31130678 0.76 CD44 (0.43) CD44PNMTMAOBCHRNB2CHRNA4
SCHEMBL18237416 0.74 CD44 (0.41) CD44PNMTMAOBCHRNB2CHRNA4
SCHEMBL20445879 0.74 CD44 (0.41) CD44PNMTMAOBCHRNB2CHRNA4
SCHEMBL22036589 0.74 CD44 (0.41) CD44PNMTADRA2AADRA2BADRA2C
SCHEMBL1336895 0.73 CD44 (0.40) CD44PNMTMAOB
Hydrochloric Acid SCHEMBL21980663 0.73 CHRM3 (0.43) CD44PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. 2011-04-21 US disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137499-A1 INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009067493-A2 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS ENVIVO PHARMACEUTICALS, INC. (US) 2009-05-28 WO disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 NOS3 968/4885NOS1 1043/4885NOS2 1780/4885
US-20110092554-A1 1,3,5 TRI-SUBTITUTED BENZENES FOR TREATMENT OF ALZHEIMER'S DISEASE AND OTHER DISORDERS PSEN1, PSEN2, BACE1 NOS3 1629/4885NOS1 2176/4885NOS2 3186/4885

“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.