SCHEMBL12420729

SCHEMBL12420729

CC(=N)N1CCc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.68
NOTUM Q6P988 2/20 0.68
TMPRSS2 O15393 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
CYP2D6 P10635 1/20 0.68
SLC6A2 P23975 1/20 0.68
HSD17B10 Q99714 2/20 0.58
LMNA P02545 1/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 1/20 0.58
PMP22 Q01453 1/20 0.58
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
PHGDH O43175 1/20 0.56
MGLL Q99685 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 1/20 0.55

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
Debrisoquin SCHEMBL29390380 0.81 TMPRSS2 (1.00) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL8244060 0.81 NOTUM (0.68) MAOANOTUMTMPRSS2HTR1AADRA2A
Debrisoquin SCHEMBL309184 0.81 TMPRSS2 (1.00) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL30539318 0.81 NOTUM (1.00) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL3210469 0.81 NOTUM (1.00) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL20749828 0.78 NOTUM (0.64) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL5673815 0.78 TMPRSS2 (0.64) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL4290600 0.77 NOTUM (0.68) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL13497358 0.76 TMPRSS2 (0.57) MAOANOTUMTMPRSS2HTR1AADRA2A
SCHEMBL27901981 0.76 NOTUM (0.72) MAOANOTUMTMPRSS2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-20110172416-A1 AMIDINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2011-07-14 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-20110172416-A1 AMIDINE DERIVATIVE SERPINC1, F12, F11 MAOA 2233/4885NOTUM 1106/4885TMPRSS2 210/4885

“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.