SCHEMBL6840494

SCHEMBL6840494

CC(=O)N(C)Cc1cccc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
P2RX7 Q99572 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GRM5 P41594 1/20 0.39
IKBKB O14920 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 2/20 0.38
PDE10A Q9Y233 1/20 0.37
GBA1 P04062 2/20 0.37
HSD17B3 P37058 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 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
SCHEMBL10305062 0.83 RAB9A (0.41) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL14547221 0.82 RAB9A (0.40) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL20910180 0.82 MEN1 (0.48) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL12788604 0.82 MEN1 (0.42) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL17804227 0.81 ALDH1A1 (0.45) MEN1KMT2ANPSR1GRM5IKBKB
SCHEMBL6840356 0.81 MEN1 (0.45) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL9512579 0.81 EGFR (0.42) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL17802041 0.80 ACKR3 (0.43) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL14195506 0.79 RIPK1 (0.42) RAB9AMEN1KMT2AOPRM1OPRD1
SCHEMBL22242103 0.78 HCRTR1 (0.49)

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-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP RAB9A 2012/4885MEN1 4515/4885KMT2A 4151/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP RAB9A 2012/4885MEN1 4515/4885KMT2A 4151/4885

“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.