SCHEMBL6308342

SCHEMBL6308342

CCN1CCN(c2cccc3ccc(NC(=O)c4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.62
CHRM4 P08173 3/20 0.61
CHRM2 P08172 1/20 0.61
CHRM5 P08912 4/20 0.58
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
CHRM3 P20309 3/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
KLK7 P49862 1/20 0.49

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
SCHEMBL6305703 0.93 CHRM1 (0.53) CHRM1CHRM4CHRM2CHRM5NPC1
SCHEMBL6308232 0.89 RAB9A (0.55) NPC1RAB9ATP53MAPTMEN1
SCHEMBL6308077 0.88 HTR1A (0.53) CHRM1CHRM4CHRM2NPC1RAB9A
SCHEMBL6305863 0.84 MEN1 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL9053380 0.84 CYP2D6 (0.43) CHRM1CHRM5NPC1RAB9ATP53
SCHEMBL6308071 0.82 MEN1 (0.47) CHRM1CHRM4CHRM2NPC1RAB9A
SCHEMBL6308881 0.79 WDR5 (0.55) CHRM1CHRM5NPC1RAB9ATP53
SCHEMBL6308941 0.79 NPC1 (0.55) NPC1RAB9ATP53MAPTMEN1
SCHEMBL6308769 0.78 NPC1 (0.60) CHRM1NPC1RAB9ATP53MAPT
SCHEMBL8186032 0.78 HTR5A (0.53) NPC1RAB9ATP53MAPTMEN1

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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 CHRM1 209/4885CHRM4 125/4885CHRM2 211/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 CHRM1 74/4885CHRM4 49/4885CHRM2 98/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 CHRM1 142/4885CHRM4 89/4885CHRM2 173/4885

“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.