SCHEMBL6916244

SCHEMBL6916244

NC(=O)C1CCCCC1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 3/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
P2RX7 Q99572 1/20 0.45
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CCR1 P32246 1/20 0.45
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
MCOLN2 Q8IZK6 1/20 0.44

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
SCHEMBL607580 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1756674 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL8803719 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL5032040 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1756678 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1727942 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL603555 0.89 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL16489793 0.85 MMP2 (0.54) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1757228 0.85 MMP2 (0.54) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1756635 0.85 TAS1R3 (0.62) SSTR3NPC1RAB9AMMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747152-B2 COMPRISES MOLYBDENUM/TUNGSTEN/CHROMIUM COMPLEXES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2004-06-08 US disclosed
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-09 US disclosed
US-6541655-B2 For use in regioselective and enantioselective alkylations of allylic substrates THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-04-01 US disclosed
US-20020198383-A1 Catalytic compositions and methods for asymmetric allylic alkylation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-26 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-20020198383-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C SSTR3 4235/4885NPC1 3038/4885RAB9A 4510/4885
US-20030191340-A1 Catalytic compositions and methods for asymmetric allylic alkylation MPG, UNG, APOBEC3C SSTR3 4235/4885NPC1 3038/4885RAB9A 4510/4885

“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.