SCHEMBL3703199

SCHEMBL3703199

CCN(CC)Cc1ccc2c(c1)CNC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
OPRD1 P41143 1/20 0.38
HTR6 P50406 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL31062682 0.81 HRH3 (0.43) HRH3HTR6DRD2DRD3PARP1
SCHEMBL384064 0.81 HRH3 (0.43) HRH3HTR6DRD2DRD3PARP1
Hydrochloric Acid SCHEMBL30301724 0.80 HRH3 (0.42) HRH3HTR6DRD2DRD3PARP1
SCHEMBL8179926 0.79 DRD2 (0.42) HTR6DRD2DRD3PARP1HTR2C
SCHEMBL11778412 0.78 ALDH1A1 (0.51) HRH3HTR6HTR1AHTR2CHTR7
SCHEMBL20878930 0.78 HRH3 (0.41) HRH3HTR6DRD2DRD3HTR1A
SCHEMBL14615103 0.77 DRD2 (0.46) HTR6DRD2DRD3HTR2C
SCHEMBL14615353 0.77 MLNR (0.42) HTR6DRD2DRD3HTR2C
SCHEMBL21335649 0.76 DRD2 (0.47) HTR6DRD2DRD3HTR2CHTR2B
SCHEMBL26188344 0.74 HRH3 (0.50) HRH3HTR6HTR1AHTR2CHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (3 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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK HRH3 1553/4885OPRD1 3092/4885HTR6 2186/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 HRH3 2270/4885OPRD1 3318/4885HTR6 1667/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 HRH3 2270/4885OPRD1 3318/4885HTR6 1667/4885

“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.