SCHEMBL6308941

SCHEMBL6308941

CN1CCN(c2cccc3ccc(NC(=O)c4ccc(O)cc4)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
HTR1D P28221 5/20 0.49
HTR1B P28222 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTR2A P28223 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HTR1A P08908 4/20 0.48
MAPK14 Q16539 1/20 0.48
DEGS1 O15121 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
F10 P00742 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
SCHEMBL6308769 0.91 NPC1 (0.60) NPC1RAB9AMAPK1POLBHTR1D
SCHEMBL6308232 0.90 RAB9A (0.55) NPC1RAB9AMAPK1POLBHTR1D
SCHEMBL6305515 0.89 RAB9A (0.70) NPC1RAB9APOLBHTR1DHTR1B
SCHEMBL6308881 0.85 WDR5 (0.55) NPC1RAB9AHTR1DHTR1BSMN1; SMN2
SCHEMBL6312754 0.84 RAB9A (0.63) NPC1RAB9AMAPK1POLBHTR1D
SCHEMBL6305476 0.83 HTR1A (0.54) NPC1RAB9AHTR1DHTR1BHTR2A
SCHEMBL6306747 0.83 NPC1 (0.49) NPC1RAB9AMAPK1HTR1DHTR1B
SCHEMBL6306791 0.83 WDR5 (0.59) NPC1RAB9AMAPK1POLBHTR1D
SCHEMBL6305578 0.82 MAPK14 (0.57) NPC1RAB9AHTR1DHTR1BHTR1A
SCHEMBL6313939 0.82 WDR5 (0.54) NPC1RAB9APOLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080090-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2005-04-14 US disclosed
US-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 US disclosed
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 US disclosed
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 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 (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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 NPC1 629/4885RAB9A 2881/4885MAPK1 3149/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 NPC1 955/4885RAB9A 2212/4885MAPK1 3844/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 NPC1 696/4885RAB9A 1827/4885MAPK1 3643/4885

“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.