SCHEMBL6306751

SCHEMBL6306751

CN1CCN(c2cccc3ccc(NC(=O)OCc4ccccc4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
KDM1B Q8NB78 2/20 0.51
RCOR1 Q9UKL0 2/20 0.51
HTR1A P08908 8/20 0.50
HTR1B P28222 8/20 0.50
HTR1D P28221 7/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL9054199 0.94 KDM1A (0.49) KDM1AMAOAKDM1BRCOR1HTR1A
SCHEMBL6309047 0.91 KDM1A (0.47) KDM1AMAOAKDM1BRCOR1HTR1A
SCHEMBL7809208 0.82 HTR1A (0.53) HTR1AHTR1BHTR1DALDH1A1TSHR
SCHEMBL6313054 0.82 MAPT (0.61) HTR1AHTR1BHTR1DMAPTNPC1
SCHEMBL6309053 0.81 HTR1A (0.46) KDM1AMAOAKDM1BRCOR1HTR1A
SCHEMBL6308769 0.81 NPC1 (0.60) HTR1AHTR1BHTR1DALDH1A1TSHR
SCHEMBL6305476 0.80 HTR1A (0.54) HTR1AHTR1BHTR1DMAPTNPC1
SCHEMBL6308472 0.78 HTR1A (0.54) HTR1AHTR1BHTR1DKDRHTR2A
SCHEMBL6306791 0.78 WDR5 (0.59) HTR1AHTR1BHTR1DTSHRMAPT
SCHEMBL6308941 0.77 NPC1 (0.55) HTR1AHTR1BHTR1DMAPTNPC1

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 KDM1A 1711/4885MAOA 349/4885KDM1B 1081/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 KDM1A 2883/4885MAOA 558/4885KDM1B 2434/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 KDM1A 1714/4885MAOA 412/4885KDM1B 1423/4885

“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.