SCHEMBL6313428

SCHEMBL6313428

CN1CCN(C2=CCCc3ccc(O)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 11/20 0.45
DRD5 P21918 9/20 0.45
DRD2 P14416 9/20 0.45
DRD3 P35462 8/20 0.45
CHRM1 P11229 2/20 0.42
DRD4 P21917 7/20 0.41
PBRM1 Q86U86 1/20 0.40
CCR4 P51679 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL6002166 0.82 ALDH1A1 (0.45) DRD2CHRM1DRD4HTR3EHTR3B
SCHEMBL6309067 0.74 HRH3 (0.58)
SCHEMBL6305520 0.73 RAB9A (0.58) CHRM1
SCHEMBL6306116 0.69 DRD1 (0.41) DRD1DRD5DRD2DRD3CHRM1
SCHEMBL11085991 0.66 PBRM1 (0.50) DRD1DRD5DRD2DRD3PBRM1
SCHEMBL10157047 0.65 DRD1 (0.85) DRD1DRD5DRD2DRD3DRD4
SCHEMBL17659123 0.65 DRD2 (0.51) DRD1DRD5DRD2DRD3DRD4
SCHEMBL29678628 0.65 PBRM1 (0.53) DRD1DRD5DRD2DRD3DRD4
SCHEMBL1037654 0.65 PBRM1 (0.53) DRD1DRD5DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6530379 0.64 DRD1 (0.81) DRD1DRD5DRD2DRD3DRD4

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 12 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
EP-0767782-B1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER (US) 2001-10-31 EP 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-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US 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
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO 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 DRD1 224/4885DRD5 399/4885DRD2 144/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 DRD1 151/4885DRD5 244/4885DRD2 92/4885

“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.