SCHEMBL6306100

SCHEMBL6306100

CN1CCN(c2cccc3ccc(C(=O)c4ccccc4)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
HTR1D P28221 8/20 0.54
HTR1B P28222 8/20 0.54
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HTR2C P28335 2/20 0.47
HTR6 P50406 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
DRD3 P35462 1/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
HTR3A P46098 1/20 0.44

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
SCHEMBL7812700 0.88 HTR1A (0.57) HTR1AHTR1DHTR1BALDH1A1HPGD
Hydrochloric Acid SCHEMBL6306223 0.87 HTR1A (0.56) HTR1AHTR1DHTR1BALDH1A1HPGD
SCHEMBL7812213 0.84 KDM4E (0.60) HTR1AHTR1DHTR1BALDH1A1HPGD
SCHEMBL6312754 0.83 RAB9A (0.63) HTR1AHTR1DHTR1BALDH1A1GAA
SCHEMBL6306763 0.82 HTR1A (0.57) HTR1AHTR1DHTR1BALDH1A1SMN1; SMN2
SCHEMBL6307506 0.81 HTR1A (0.61) HTR1AHTR1DHTR1BALDH1A1HPGD
SCHEMBL6308769 0.81 NPC1 (0.60) HTR1AHTR1DHTR1BALDH1A1GAA
SCHEMBL7809208 0.80 HTR1A (0.53) HTR1AHTR1DHTR1BALDH1A1GAA
SCHEMBL11475873 0.77 NPC1 (0.71) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL6313054 0.77 MAPT (0.61) HTR1AHTR1DHTR1BLMNAHTR6

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.