SCHEMBL6720476

SCHEMBL6720476

C=CCCn1cnc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
HPGDS O60760 1/20 0.46
CYP2E1 P05181 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NLRP3 Q96P20 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL5718131 0.84 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL7067437 0.84 CYP2A6 (0.65) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL1539107 0.83 HPGDS (0.48) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL4865471 0.81 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL4865849 0.79 CYP2E1 (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL7990801 0.78 CYP2E1 (0.53) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL12985709 0.78 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL12985345 0.78 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL8657334 0.77 PDE10A (0.46) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL8921117 0.77 HPGDS (0.51) PDE10AHPGDSCYP2E1CYP3A4CYP2A6

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US claimed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP claimed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP claimed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO claimed
US-6673557-B2 ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY WYETH 2004-01-06 US disclosed
US-6673774-B2 CLARITHROMYCIN MACROLIDES HAVING ENHANCED ACTIVITY TOWARDS GRAM-NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM-POSITIVE BACTERIA; ACTIVE AGAINST MLSB-RESISTANT STRAINS (MLSB=MACROLIDES-LINCOSAMIDES-TYPE B STREPTOGRAMINES) ENANTA PHARMACEUTICALS, INC. 2004-01-06 US disclosed
US-6670331-B2 Clarithromycin macrolides having enhanced activity towards gram-negative bacteria and macrolide resistant gram-positive bacteria; active against MLSB-resistant strains (MLSB=Macrolides-Lincosamides-type B Streptogramines) ENANTA PHARMACEUTICALS, INC. 2003-12-30 US disclosed
US-20030114396-A1 11-O-substituted macrolides and their descladinose derivatives ENANTA PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-20030114395-A1 Novel 11-O-substituted ketolide derivatives ENANTA PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2003047600-A1 11-O-SUBSTITUTED MACROLIDES AND THEIR DESCLADINOSE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
WO-2003047601-A1 NOVEL 11-O-SUBSTITUTED KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
US-20030027801-A1 Methods of treatment of eye trauma and disorders WYETH 2003-02-06 US disclosed
US-6242198-B1 ADMINISTERING GUANIDINE COMPOUND CAMBRIDGE NEUROSCIENCE, INC. 2001-06-05 US disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 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-20030027801-A1 Methods of treatment of eye trauma and disorders RBP4, ALDH1A2, RBP1 PDE10A 1978/4885HPGDS 882/4885CYP2E1 4276/4885
US-20030114396-A1 11-O-substituted macrolides and their descladinose derivatives PIGS, TLR6, DDOST PDE10A 721/4885HPGDS 1729/4885CYP2E1 882/4885
US-20030114395-A1 Novel 11-O-substituted ketolide derivatives CYP51A1, CYP2C9, CYP4A11 PDE10A 1831/4885HPGDS 662/4885CYP2E1 127/4885

“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.