SCHEMBL6306460

SCHEMBL6306460

CN1CCC(c2cccc3ccc(-n4cnc5ncccc54)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ DRD2 P14416 11/20 0.39
▸ SLC6A4 P31645 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37

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
SCHEMBL6313059 0.94 GABRP (0.43) HTR6HTR2AHTR2BDRD2SLC6A4
SCHEMBL6306744 0.88 KCNH2 (0.39) DRD2GABRPGABRDGABRA1GABRB1
SCHEMBL7568571 0.84 GRM2 (0.35) DRD2SLC6A4OPRM1OPRL1GABRP
SCHEMBL6309060 0.81 HTR1A (0.49) HTR6HTR1B
SCHEMBL6306667 0.72 HTR5A (0.50) HTR6HTR2AHTR2BDRD2SLC6A4
SCHEMBL1387940 0.71 HTR6 (0.46) HTR6HTR2AHTR2BDRD2SLC6A4
SCHEMBL8185072 0.70 DRD2 (0.50) HTR6HTR2AHTR2BDRD2SLC6A4
SCHEMBL7816263 0.69 CYP1A2 (0.57) DRD2SLC6A4
SCHEMBL6307121 0.69 HTR1D (0.57) HTR6HTR2AHTR2BDRD2SLC6A4
SCHEMBL8176435 0.69 DRD2 (0.61) HTR6DRD2SLC6A4HTR1B

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-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

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 HTR6 26/4885HTR2A 32/4885HTR2B 7/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 HTR6 54/4885HTR2A 44/4885HTR2B 10/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 HTR6 25/4885HTR2A 31/4885HTR2B 16/4885

“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.

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