SCHEMBL6312451

SCHEMBL6312451

CN1CCN(c2cccc3ccc(OCc4cnc(-c5ccc(Cl)cc5)s4)cc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.67
KCNH2 Q12809 1/20 0.67
HTR1A P08908 12/20 0.57
HTR1D P28221 11/20 0.57
HTR1B P28222 11/20 0.57
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR1 P25024 1/20 0.39
OPRL1 P41146 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MTNR1B P49286 1/20 0.38

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
SCHEMBL7812331 0.92 HTR1A (0.60) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7800756 0.84 KCNH2 (0.65) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7816470 0.84 SLC6A9 (0.72) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812942 0.84 SLC6A9 (0.69) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812215 0.83 KCNH2 (0.66) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL6313105 0.83 HTR1A (0.70) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7813010 0.81 KCNH2 (0.64) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL27373445 0.81 MTNR1B (0.52) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812189 0.81 KCNH2 (0.65) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL6306206 0.81 HTR1A (0.66) SLC6A9KCNH2HTR1AHTR1DHTR1B

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
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
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 (2 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-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 SLC6A9 1674/4885KCNH2 553/4885HTR1A 9/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 SLC6A9 1484/4885KCNH2 304/4885HTR1A 10/4885

“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.