SCHEMBL6306629

SCHEMBL6306629

CN1CCC(O)(c2cccc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HTR7 P34969 3/20 0.37
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
NR3C1 P04150 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
OPRL1 P41146 1/20 0.36
OPRM1 P35372 1/20 0.34

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
SCHEMBL6307124 0.79 CYP11B2 (0.41) CRHBPCRHR2KMT2APTPN1
SCHEMBL7256371 0.76 SLC6A3 (0.47) KMT2AKDM4EOPRL1OPRM1
SCHEMBL6308671 0.76 CYP11B2 (0.38) CRHBPCRHR2KMT2APTPN1
SCHEMBL7816341 0.76 OPRD1 (0.46) DRD3OPRM1
SCHEMBL6313559 0.72 CHRNB4 (0.41) CYP2C19
SCHEMBL6313543 0.70 HTR6 (0.46) HTR1AHTR6KDM4ECYP2C19
SCHEMBL6305860 0.69 CYP2C19 (0.45) CRHBPCRHR2NR3C1KMT2ACYP2C19
SCHEMBL6308952 0.68 CYP2C19 (0.35) CRHBPCRHR2HTR7HTR1AHTR2A
SCHEMBL6709096 0.68 OPRL1 (0.63) HTR2AHTR2CDRD3KMT2AKDM4E
SCHEMBL11201127 0.68 OPRL1 (0.55) OPRL1OPRM1

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 CRHBP 389/4885CRHR2 28/4885HTR7 14/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 CRHBP 735/4885CRHR2 46/4885HTR7 27/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 CRHBP 629/4885CRHR2 30/4885HTR7 19/4885

“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.