SCHEMBL6307458

SCHEMBL6307458

CN(c1ccc2c(c1)OCO2)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
DYRK3 O43781 1/20 0.38
PIM1 P11309 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
MAPT P10636 3/20 0.37

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
Hydrochloric Acid SCHEMBL6188607 0.98 NPC1 (0.40) NPC1RAB9AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL6307331 0.98 NPC1 (0.40) NPC1RAB9AADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL1920550 0.88 NPC1 (0.41) NPC1RAB9AL3MBTL1SLC6A4HPGD
SCHEMBL31023847 0.84 SLC6A4 (0.45) NPC1RAB9AADRA2AADRA2BADRA2C
SCHEMBL31023963 0.77 CYP3A4 (0.43) NPC1RAB9AADRA2CADRA1AMAPT
SCHEMBL31023843 0.77 ALDH1A1 (0.40) NPC1RAB9AL3MBTL1MAPTKDM4E
SCHEMBL31023988 0.76 HTR2C (0.43) DYRK3PIM1DYRK1ADYRK2DYRK1B
SCHEMBL1254036 0.73 NPC1 (0.51) NPC1RAB9AADRA2AADRA2BADRA2C
SCHEMBL31023740 0.72 CYP3A4 (0.41) NPC1RAB9AMAPTCYP3A4KDM4E
SCHEMBL1007348 0.72 SLC6A4 (0.52) SLC6A4SLC6A3

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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
US-20050187387-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-08-25 US disclosed
US-6921821-B2 Antagonists of melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R NPC1 922/4885RAB9A 1046/4885ADRA2A 610/4885
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R NPC1 356/4885RAB9A 2317/4885ADRA2A 321/4885

“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.