SCHEMBL2288243

SCHEMBL2288243

C[N]C(=O)N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR1A P08908 1/20 0.43
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
EPHX2 P34913 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
SCHEMBL735366 0.82 CYP1A2 (0.56) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL735365 0.82 CYP1A2 (0.56) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL6246335 0.80 CYP1A2 (0.54) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL967286 0.79
SCHEMBL965723 0.77 ALDH1A1 (0.48) TDP1HTTPOLB
SCHEMBL2197708 0.73 CA2 (0.48) HSD11B1POLBEPHX2
SCHEMBL967471 0.73 SMN1; SMN2 (0.54) HTTMAPT
SCHEMBL5470776 0.73 CYP1A2 (0.65) CYP1A2TDP1HTR1AHTTHSD11B1
SCHEMBL1965092 0.70 CYP1A2 (0.62) CYP1A2TDP1HTR1AHTTHSD11B1
Hydrochloric Acid SCHEMBL15209250 0.70 CYP1A2 (0.62) CYP1A2TDP1HTR1AHTTHSD11B1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US claimed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US claimed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US claimed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 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 (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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS CYP1A2 1583/4885TDP1 28/4885HTR1A 3706/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CYP1A2 757/4885TDP1 63/4885HTR1A 4168/4885

“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.