SCHEMBL6313386

SCHEMBL6313386

COc1ccc(-c2ccc3cccc(C4CCN(C)CC4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
DRD2 P14416 2/20 0.43
SLC6A4 P31645 1/20 0.43
FDFT1 P37268 1/20 0.42
HTR6 P50406 4/20 0.42
HRH4 Q9H3N8 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
ERBB3 P21860 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
MTNR1B P49286 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL6308711 0.91 USP2 (0.47) MTNR1ADRD2SLC6A4FDFT1CYP2C19
SCHEMBL9325324 0.90 MTNR1A (0.56) MTNR1ADRD2SLC6A4FDFT1MEN1
SCHEMBL8192016 0.80 DRD2 (0.56) DRD2SLC6A4HTR6MEN1KMT2A
SCHEMBL7566869 0.80 EGFR (0.46) MTNR1AHTR6EGFRERBB2ERBB3
SCHEMBL8176435 0.78 DRD2 (0.61) DRD2SLC6A4HTR6MEN1KMT2A
SCHEMBL7102201 0.78 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL8185072 0.77 DRD2 (0.50) DRD2SLC6A4HTR6
SCHEMBL6314991 0.77 HTR1A (0.64) HRH4CYP2C19KCNH2MTNR1B
SCHEMBL7020706 0.77 HTR1D (0.62) MTNR1ADRD2SLC6A4HTR6MTNR1B
SCHEMBL6307121 0.76 HTR1D (0.57) DRD2SLC6A4HTR6MEN1KMT2A

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-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
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
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 (2 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 MTNR1A 198/4885DRD2 144/4885SLC6A4 86/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 MTNR1A 180/4885DRD2 92/4885SLC6A4 69/4885

“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.