SCHEMBL10320500

SCHEMBL10320500

[C]1CCCc2ccccc2CN1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MAOB P27338 2/20 0.43
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
HTR2C P28335 1/20 0.38
MAPT P10636 1/20 0.33
NOS3 P29474 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
OXTR P30559 1/20 0.31

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
SCHEMBL10321000 0.87 MAOB (0.46) TSHRMAOBPNMTCD44HTR2C
SCHEMBL37705 0.73 PNMT (0.39) MAOBPNMTCD44HTR2CALOX15
SCHEMBL155050 0.71 MAPT (0.46) TSHRMAOBHTR2CMAPTNOS3
SCHEMBL10321111 0.70 HTR2C (0.52) TSHRMAOBPNMTCD44HTR2C
SCHEMBL8355 0.68 TSHR (1.00) TSHRMAOBPNMTCD44HTR2C
SCHEMBL451157 0.68 TSHR (0.86) TSHRMAOBPNMTCD44HTR2C
SCHEMBL9662 0.68
SCHEMBL11606739 0.68 TSHR (1.00) TSHRMAOBPNMTCD44HTR2C
SCHEMBL11645158 0.68 TSHR (1.00) TSHRMAOBPNMTCD44HTR2C
SCHEMBL385555 0.68 TSHR (1.00) TSHRMAOBPNMTCD44HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP 2013-11-14 US claimed
US-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP 2013-11-14 US disclosed
US-8513433-B2 Small molecule inhibitors of PARP activity ANGION BIOMEDICA CORP. (US) 2013-08-20 US disclosed
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY ANGION BIOMEDICA CORP. (US) 2012-07-19 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-20130303567-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 TSHR 4709/4885MAOB 643/4885PNMT 1174/4885
US-20120184533-A1 SMALL MOLECULE INHIBITORS OF PARP ACTIVITY PARP1, PARP11, PARP15 TSHR 4709/4885MAOB 643/4885PNMT 1174/4885

“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.