SCHEMBL6481323

SCHEMBL6481323

CCCN(CCC)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ IGLV6-57 P01721 1/20 0.43
▸ AHR P35869 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AR P10275 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38

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
SCHEMBL6483014 0.83 NPC1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6482592 0.81 MAPT (0.41) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6494373 0.78 MAPT (0.53) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6372659 0.77 MAPT (0.57) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24900306 0.76 CYP1A2 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14295296 0.76 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15730657 0.76 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10042889 0.76 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12936127 0.76 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23308823 0.76 MAPT (0.52) MAPTALDH1A1NPC1RAB9ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 — — US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 — — US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 — — US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 — — EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 — — WO claimed
US-6919335-B2 Administering a therapeutically effective amount of a heterocyclic compound to the patient for the treatment of inosine monophosphate dehydrogenase associated disorders, such as allograft rejection BRISTOL-MYERS SQUIBB CO. (US) 2005-07-19 — — US disclosed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 — — US disclosed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 — — US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 — — US disclosed
US-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY 2002-04-04 — — US 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-20020040022-A1 Heterocycles that are inhibitors of IMPDH enzyme XDH, IMPDH1, IMPDH2 MAPT 4611/4885ALDH1A1 155/4885NPC1 548/4885
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 MAPT 2337/4885ALDH1A1 4486/4885NPC1 1256/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAPT 3500/4885ALDH1A1 4111/4885NPC1 2036/4885

“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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