SCHEMBL6312814

SCHEMBL6312814

CN1CCN(c2cccc3ccc(-c4nc(Cc5ccc(Cl)cc5)no4)cc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.70
KCNH2 Q12809 1/20 0.70
OPRL1 P41146 4/20 0.57
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
HTR6 P50406 1/20 0.43
DGAT1 O75907 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8780726 0.85 SLC6A9 (0.56) SLC6A9KCNH2OPRL1ALDH1A1NPC1
SCHEMBL6306617 0.83 OPRL1 (0.59) SLC6A9KCNH2OPRL1ERCC1ERCC4
SCHEMBL7951587 0.81 OPRL1 (0.85) SLC6A9KCNH2OPRL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7813281 0.81 SLC6A9 (0.96) SLC6A9KCNH2OPRL1HTR1AHTR1D
Hydrochloric Acid SCHEMBL7803563 0.79 SLC6A9 (0.68) SLC6A9KCNH2OPRL1RAB9AHTR1A
Hydrochloric Acid SCHEMBL7803562 0.79 SLC6A9 (0.68) SLC6A9KCNH2OPRL1RAB9AHTR1A
SCHEMBL1387524 0.73 SLC6A9 (0.84) SLC6A9KCNH2OPRL1HTR1AHTR1D
SCHEMBL22411130 0.73 SLC6A9 (0.45) SLC6A9KCNH2OPRL1KDM4EALDH1A1
SCHEMBL8185864 0.73 SLC6A9 (0.83) SLC6A9KCNH2OPRL1HTR1AHTR1D
SCHEMBL27394523 0.73 HTR1A (0.53) SLC6A9KCNH2HTR1AHTR1DHTR1B

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 8 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-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 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 SLC6A9 2676/4885KCNH2 284/4885OPRL1 5/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 SLC6A9 1674/4885KCNH2 553/4885OPRL1 6/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 SLC6A9 1484/4885KCNH2 304/4885OPRL1 15/4885

“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.