SCHEMBL6313735

SCHEMBL6313735

CN1CCN(c2cccc3ccc(-c4cccc(F)c4)cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.59
HTR1D P28221 5/20 0.59
HTR1B P28222 5/20 0.59
HTR2A P28223 5/20 0.46
KCNH2 Q12809 4/20 0.46
DRD2 P14416 3/20 0.46
HTR6 P50406 2/20 0.46
DHFR P00374 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 1/20 0.44
SLC6A9 P48067 1/20 0.44
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 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
SCHEMBL6306333 0.82 HTR1A (0.60) HTR1AHTR1DHTR1BKCNH2ALDH1A1
SCHEMBL6314991 0.80 HTR1A (0.64) HTR1AHTR1DHTR1BKCNH2ALDH1A1
SCHEMBL6308994 0.80 HTR1A (0.54) HTR1AHTR1DHTR1BKCNH2DRD2
SCHEMBL7801933 0.77 HTR1A (0.54) HTR1AHTR1DHTR1BKCNH2ALDH1A1
SCHEMBL6313134 0.77 CYP1A2 (0.61) HTR1AHTR1DHTR1BHTR2AKCNH2
SCHEMBL6313361 0.77 HTR1A (0.52) HTR1AHTR1DHTR1BALDH1A1
SCHEMBL6305611 0.77 HTR1A (0.48) HTR1AHTR1DHTR1BHTR2ADRD2
SCHEMBL6313298 0.77 HTR1A (0.63) HTR1AHTR1DHTR1BDRD2HTR3A
SCHEMBL6306922 0.76 HTR5A (0.68) HTR1AHTR1DHTR1BKCNH2DRD2
SCHEMBL8569099 0.76 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2ADRD2

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 HTR1A 13/4885HTR1D 22/4885HTR1B 10/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 HTR1A 9/4885HTR1D 21/4885HTR1B 12/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 HTR1A 10/4885HTR1D 18/4885HTR1B 11/4885

“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.