SCHEMBL5369315

SCHEMBL5369315

COc1ccc2c(N3CCNCC3)cccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.53
▸ ADRB2 P07550 3/20 0.53
▸ ADRB1 P08588 3/20 0.53
▸ HTR6 P50406 3/20 0.51
▸ HTR7 P34969 3/20 0.51
▸ HTR3E A5X5Y0 2/20 0.51
▸ HTR3B O95264 2/20 0.51
▸ HTR3A P46098 2/20 0.51
▸ HTR3D Q70Z44 2/20 0.51
▸ HTR3C Q8WXA8 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HTR5A P47898 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR2A P28223 1/20 0.51

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
SCHEMBL900276 0.83 NCF1 (0.68) NCF1ADRB2ADRB1HTR6HTR3E
SCHEMBL428165 0.81 NCF1 (0.69) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL5223620 0.79 HTR2A (0.58) NCF1ADRB1HTR6HTR7HTR3E
SCHEMBL27656377 0.78 NCF1 (0.55) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL4176462 0.77 NCF1 (0.72) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL4171704 0.76 HTR6 (0.56) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL5379011 0.75 GBA1 (0.49) —
SCHEMBL425929 0.75 ADRB2 (0.71) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL429723 0.75 NCF1 (0.51) NCF1ADRB2ADRB1HTR6HTR7
SCHEMBL430602 0.75 NCF1 (0.51) NCF1ADRB2ADRB1HTR6HTR7

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-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 — — US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 — — EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 — — WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 — — 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 NCF1 1186/4885ADRB2 608/4885ADRB1 371/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 NCF1 1186/4885ADRB2 608/4885ADRB1 371/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 NCF1 1186/4885ADRB2 608/4885ADRB1 371/4885

“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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