SCHEMBL3904650

SCHEMBL3904650

Fc1cc[c]c(N2CCOCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
AR P10275 3/20 0.38
PRKDC P78527 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL20973033 0.83 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL20973017 0.83 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL16429520 0.79 MAPT (0.40) RAB9ANPC1SMN1; SMN2PRKDCLMNA
SCHEMBL16964337 0.79 MAPT (0.49) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL9181673 0.79 ALDH1A1 (0.41) SMN1; SMN2ARPRKDCLMNAALDH1A1
SCHEMBL23702335 0.79 AR (0.41) RAB9ANPC1ARPRKDCLMNA
SCHEMBL2315135 0.79 MAPT (0.41) RAB9ANPC1SMN1; SMN2ARPRKDC
SCHEMBL15391006 0.78 PRKDC (0.44) RAB9ANPC1SMN1; SMN2PRKDCALDH1A1
SCHEMBL8481418 0.77 PKM (0.40) SMN1; SMN2PRKDCLMNAALDH1A1KMT2A
SCHEMBL28440354 0.76 FAAH (0.40) LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 US disclosed
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
US-7582649-B2 Oral administration of a dosage of 3-(3-amino-2-(R)-hydroxy-propyl)-1-(4-fluoro-phenyl)-8-(8-methyl-naphthalen-1-ylmethyl)-1,3,8-triaza-spiro[4.5]decan-4-one and a carrier; opiod receptor-like-1 G-protein coupled receptor inhibitors; psychological disorders; nervous system disorders; antidiabetic agents JANSSEN PHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS BATTISTA KATHLEEN 2009-05-14 US disclosed
US-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders BATTISTA KATHLEEN 2006-02-09 US disclosed
US-5475132-A Fungicide intermediates RHONE-POULENC AGROCHIMIE (FR) 1995-12-12 US disclosed
US-5342835-A Antifungal agents based on amides containing a phenyl group RHONE-POULENC AGROCHIMIE (FR) 1994-08-30 US disclosed
CN-1024317-C Antifungal agents based on amides containing phenyl group RHONE POULENC AGROCHIMIE (FR) 1994-04-27 CN disclosed
CN-1040792-A ANTIFUNGAL AGENTS BASED ON AMIDES CONTAINING PHENYL GROUP RHONE POULENC AGROCHIMIE (FR) 1990-03-28 CN 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-20060030577-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders OPRL1, ADRA1D, OPRD1 RAB9A 1216/4885NPC1 1148/4885SMN1; SMN2 1882/4885
US-20090124614-A1 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS OPRL1, ADRA1D, OPRD1 RAB9A 1216/4885NPC1 1148/4885SMN1; SMN2 1882/4885
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK RAB9A 2468/4885NPC1 2086/4885SMN1; SMN2 2132/4885

“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.