SCHEMBL6312754

SCHEMBL6312754

CN1CCN(c2cccc3ccc(C(=O)Nc4ccccc4)cc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.53
HTR1D P28221 4/20 0.53
HTR1B P28222 4/20 0.53
HTR2A P28223 1/20 0.53
MAPK14 Q16539 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTR1A P08908 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
ESR2 Q92731 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL6305515 0.89 RAB9A (0.70) RAB9ANPC1POLBHTR1DHTR1B
SCHEMBL6308769 0.88 NPC1 (0.60) RAB9ANPC1POLBMAPK1HTR1D
SCHEMBL6313054 0.85 MAPT (0.61) RAB9ANPC1POLBHTR1DHTR1B
SCHEMBL6308941 0.84 NPC1 (0.55) RAB9ANPC1POLBMAPK1HTR1D
SCHEMBL7812700 0.84 HTR1A (0.57) POLBMAPK1HTR1DHTR1BHTR1A
SCHEMBL6308232 0.83 RAB9A (0.55) RAB9ANPC1POLBMAPK1HTR1D
SCHEMBL6306100 0.83 HTR1A (0.54) POLBMAPK1HTR1DHTR1BHTR2A
Hydrochloric Acid SCHEMBL6306223 0.83 HTR1A (0.56) POLBMAPK1HTR1DHTR1BHTR1A
SCHEMBL6308881 0.82 WDR5 (0.55) RAB9ANPC1HTR1DHTR1BHTR2A
SCHEMBL6306763 0.81 HTR1A (0.57) NPC1MAPK1HTR1DHTR1BSMN1; SMN2

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 11 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-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 RAB9A 2881/4885NPC1 629/4885POLB 3767/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 RAB9A 2212/4885NPC1 955/4885POLB 2826/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 RAB9A 1827/4885NPC1 696/4885POLB 3062/4885

“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.