SCHEMBL6308952

SCHEMBL6308952

CN1C=C(c2cccc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PTPN1 P18031 1/20 0.33
NR3C1 P04150 1/20 0.33
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
AR P10275 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31

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
SCHEMBL6307308 0.81 BTK (0.39) CRHBPCRHR2PTPN1ARNR1H2
SCHEMBL6313543 0.80 HTR6 (0.46) CYP2C19HTR1AHTR6
SCHEMBL6313559 0.80 CHRNB4 (0.41) CYP2C19
SCHEMBL6312455 0.69 LIPG (0.41) CRHBPCRHR2PTPN1MAPK1
SCHEMBL6306629 0.68 CRHBP (0.38) CYP2C19CRHBPCRHR2PTPN1NR3C1
SCHEMBL6305860 0.68 CYP2C19 (0.45) CYP2C19CRHBPCRHR2PTPN1NR3C1
SCHEMBL7801943 0.67 CRHBP (0.36) CRHBPCRHR2PTPN1ARNR1H2
SCHEMBL6313150 0.65 INSR (0.65) CYP2C19CRHBPCRHR2NR3C1INSR
SCHEMBL10974928 0.61 CRHBP (0.68) CYP2C19CRHBPCRHR2PTPN1NR3C1
SCHEMBL17301318 0.61 CYP2C19 (0.50) CYP2C19CRHBPCRHR2NR3C1INSR

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 9 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
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-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 CYP2C19 329/4885CRHBP 389/4885CRHR2 28/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 CYP2C19 360/4885CRHBP 735/4885CRHR2 46/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 CYP2C19 313/4885CRHBP 629/4885CRHR2 30/4885

“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.