SCHEMBL7140681

SCHEMBL7140681

c1ccc2c(c1)c1ccccc1n2CC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CNR2 P34972 3/20 0.51
CNR1 P21554 2/20 0.51
ACHE P22303 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SLC2A1 P11166 1/20 0.48
ADRA2A P08913 1/20 0.47
RORC P51449 2/20 0.47
RORA P35398 1/20 0.47
RORB Q92753 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DHFR P00374 1/20 0.46
CRY1 Q16526 1/20 0.46

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
SCHEMBL19179039 0.94 CYP1A2 (0.50) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL5795412 0.90 CYP1A2 (0.54) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL12216223 0.90 DHFR (0.61) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL12469831 0.85 NPC1 (0.52) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL4779304 0.83 PTGER4 (0.54) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL22441902 0.81 PTGER4 (0.45) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL22441906 0.81 PTGER4 (0.43) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL5260181 0.80 NPC1 (0.50) NPC1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL17805941 0.79 ADRA2A (0.43) NPC1CNR2CYP1A2CYP2C19ADRA2A
SCHEMBL17938383 0.78 PTGER4 (0.56) NPC1KDM4ECNR2CNR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525043-B2 Bicyclic or tricyclic ketones, oximes, amine oxides or amines are used as calcium or potassium channel modulators NEUROSEARCH A/S (DK) 2003-02-25 US claimed
US-20020065266-A1 Use of ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-30 US claimed
EP-1187610-A2 USE OF ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2002-03-20 EP claimed
WO-2000069794-A2 USE OF CALCIUM-ACTIVATED POTASSIUM CHANNEL-MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-11-23 WO claimed
US-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 US disclosed
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES PASCAL BIOSCIENCES INC (CA) 2023-08-31 US disclosed
US-6525043-B2 Bicyclic or tricyclic ketones, oximes, amine oxides or amines are used as calcium or potassium channel modulators NEUROSEARCH A/S (DK) 2003-02-25 US disclosed
US-6525228-B2 Reacting a conjugated diene with a compound containing active hydrogen in the presence of a cataylst system comprising a transition metal compound, a phosphorus containing compound and atleast one salt CELANESE CHEMICALS EUROPE GMBH (DE) 2003-02-25 US disclosed
US-20020091281-A1 Process of telomerizing conjugated dienes CELANESE CHEMICALS EUROPE GMBH (DE) 2002-07-11 US disclosed
US-20020065266-A1 Use of ion channel modulating agents NEUROSEARCH A/S (DK) 2002-05-30 US disclosed
EP-1187610-A2 USE OF ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2002-03-20 EP disclosed
WO-2000069794-A2 USE OF CALCIUM-ACTIVATED POTASSIUM CHANNEL-MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-11-23 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 (4 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN NPC1 2550/4885KDM4E 1112/4885ALDH1A1 3804/4885
US-20020065266-A1 Use of ion channel modulating agents KCNN3, KCNN1, KCNN2 NPC1 1403/4885KDM4E 1513/4885ALDH1A1 4532/4885
US-20230270763-A1 METHOD OF TREATING CORONOVIRUS INFECTIONS WITH CANNABINOIDS AND DERIVATIVES CNR1, CNR2, SARS1 NPC1 938/4885KDM4E 1163/4885ALDH1A1 3300/4885
US-20020091281-A1 Process of telomerizing conjugated dienes TELO2, TERT, PCNA NPC1 3896/4885KDM4E 2056/4885ALDH1A1 3298/4885

“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.