SCHEMBL6308071

SCHEMBL6308071

COC(C)N1CCN(c2cccc3ccc(NC(=O)c4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ACKR3 P25106 2/20 0.44
CHRM1 P11229 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTR1A P08908 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL6308232 0.85 RAB9A (0.55) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6308077 0.83 HTR1A (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6308342 0.82 CHRM1 (0.62) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6305703 0.82 CHRM1 (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6305863 0.81 MEN1 (0.54) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6308881 0.76 WDR5 (0.55) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6308941 0.76 NPC1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6308769 0.75 NPC1 (0.60) KMT2ANPC1RAB9AMAPTMAPK1
SCHEMBL8186032 0.75 HTR5A (0.53) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL6306747 0.75 NPC1 (0.49) MEN1KMT2ANPC1RAB9AMAPT

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 11 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-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 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
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 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 MEN1 2395/4885KMT2A 2512/4885NPC1 629/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 MEN1 1146/4885KMT2A 3180/4885NPC1 955/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 MEN1 1856/4885KMT2A 2326/4885NPC1 696/4885

“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.