SCHEMBL12367104

SCHEMBL12367104

CC1CCN(c2cccc(CC#N)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
ACHE P22303 2/20 0.41
AGXT P21549 2/20 0.40
BRCA1 P38398 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
ENPP2 Q13822 1/20 0.40
VCP P55072 1/20 0.38
USP2 O75604 1/20 0.38
MMP3 P08254 1/20 0.38
HTR7 P34969 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL16966430 0.85 VCP (0.46) PRMT6DRD2DRD3L3MBTL3L3MBTL1
SCHEMBL7914920 0.83 PRMT6 (0.59) PRMT6DRD2DRD3L3MBTL3L3MBTL1
SCHEMBL4181983 0.82 AGXT (0.60) PRMT6DRD2DRD3ACHEAGXT
SCHEMBL10237108 0.81 PRMT6 (0.62) PRMT6DRD2DRD3L3MBTL3L3MBTL1
SCHEMBL8276471 0.80 L3MBTL3 (0.47) PRMT6L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL10237111 0.79 AGXT (0.60) PRMT6AGXTNPC1RAB9AENPP2
SCHEMBL5762489 0.79 DRD2 (0.62) DRD2DRD3HTR7
SCHEMBL25497793 0.78 L3MBTL3 (0.45) PRMT6L3MBTL3L3MBTL1MBTD1TP53BP1
Hydrochloric Acid SCHEMBL6495634 0.78 DRD2 (0.60) DRD2DRD3HTR7
SCHEMBL17340934 0.78 L3MBTL3 (0.45) PRMT6L3MBTL3L3MBTL1MBTD1TP53BP1

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
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 US disclosed
US-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-06-19 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 (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-20080146595-A1 Non-nucleoside reverse transcriptase inhibitors NQO2, SAMHD1, POLR2A PRMT6 61/4885DRD2 2726/4885DRD3 2306/4885

“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.