SCHEMBL6307121

SCHEMBL6307121

CN1CCC(c2cccc3ccc(N)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.57
HTR1B P28222 3/20 0.57
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.42
ADRA2C P18825 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTR1F P30939 1/20 0.40
HTR6 P50406 4/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
HTR2C P28335 1/20 0.37
DRD1 P21728 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6307413 0.92 HTR1D (0.48) HTR1DHTR1BDRD2SLC6A4CTDSP1
SCHEMBL8185072 0.84 DRD2 (0.50) HTR1DHTR1BDRD2SLC6A4HRH3
SCHEMBL6305712 0.83 DRD2 (0.43) HTR1DHTR1BDRD2SLC6A4CTDSP1
SCHEMBL7816263 0.82 CYP1A2 (0.57) DRD2SLC6A4HRH3CYP1A2CYP3A4
SCHEMBL7256238 0.81 DRD2 (0.69) HTR1DHTR1BDRD2SLC6A4HRH3
SCHEMBL9325324 0.80 MTNR1A (0.56) HTR1DHTR1BDRD2SLC6A4DRD1
Hydrochloric Acid SCHEMBL7260916 0.80 DRD2 (0.68) HTR1DHTR1BDRD2SLC6A4HRH3
Bromide SCHEMBL9325759 0.80 DRD2 (0.68) HTR1DHTR1BDRD2SLC6A4HRH3
SCHEMBL7571886 0.77 CHRNB2 (0.44)
SCHEMBL6309059 0.77 HTR6 (0.45) HTR1DHTR1BDRD2SLC6A4HTR6

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 HTR1D 22/4885HTR1B 10/4885DRD2 144/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 HTR1D 21/4885HTR1B 12/4885DRD2 92/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 HTR1D 18/4885HTR1B 11/4885DRD2 121/4885

“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.