SCHEMBL7935783

SCHEMBL7935783

O=C1CCCN1CCc1cccc(I)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
RAB9A P51151 2/20 0.41
ACHE P22303 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL15516474 0.85 L3MBTL1 (0.58) SIGMAR1L3MBTL1HTR2C
SCHEMBL15242991 0.81 L3MBTL1 (0.45) SIGMAR1MTNR1AMTNR1BL3MBTL1RAB9A
SCHEMBL2132367 0.81 L3MBTL1 (0.60) L3MBTL1RAB9AACHESMN1; SMN2NPC1
SCHEMBL30799059 0.81 L3MBTL1 (0.65) SIGMAR1L3MBTL1HTR2CACHESMN1; SMN2
SCHEMBL27165584 0.79 L3MBTL1 (0.68) SIGMAR1L3MBTL1HTR2CACHESMN1; SMN2
SCHEMBL31512198 0.79 L3MBTL1 (0.68) SIGMAR1L3MBTL1HTR2CACHESMN1; SMN2
SCHEMBL28220510 0.79 MTNR1A (0.43) MTNR1AMTNR1BL3MBTL1POLBRAB9A
SCHEMBL5553818 0.79 DAO (0.53) SIGMAR1PTGER4PTGER2HTR7RAB9A
SCHEMBL5788139 0.77 L3MBTL1 (0.52) SIGMAR1MTNR1AMTNR1BL3MBTL1RAB9A
SCHEMBL917005 0.76 L3MBTL1 (0.68) SIGMAR1L3MBTL1RAB9AACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SIGMAR1 368/4885MTNR1A 196/4885MTNR1B 318/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 SIGMAR1 368/4885MTNR1A 196/4885MTNR1B 318/4885

“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.