SCHEMBL6308232

SCHEMBL6308232

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
BTK Q06187 2/20 0.50
F10 P00742 2/20 0.50
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
HTR2A P28223 2/20 0.48
TP53 P04637 1/20 0.48
HTR1A P08908 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6308881 0.90 WDR5 (0.55) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6308941 0.90 NPC1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6308769 0.90 NPC1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2MAPT
SCHEMBL6305703 0.90 CHRM1 (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6308342 0.89 CHRM1 (0.62) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6305515 0.88 RAB9A (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6308077 0.87 HTR1A (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6305863 0.87 MEN1 (0.54) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6308071 0.85 MEN1 (0.47) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL6312754 0.83 RAB9A (0.63) RAB9ANPC1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP claimed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP claimed
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 RAB9A 2881/4885NPC1 629/4885MEN1 2395/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 RAB9A 2212/4885NPC1 955/4885MEN1 1146/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 RAB9A 1827/4885NPC1 696/4885MEN1 1856/4885

“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.