SCHEMBL5368588

SCHEMBL5368588

c1cc2c(c(N3CCNCC3)c1)CCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.65
MTNR1A P48039 9/20 0.48
MTNR1B P49286 9/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
MTOR P42345 1/20 0.46
HTR3A P46098 1/20 0.46
HTR5A P47898 1/20 0.46

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
Hydrochloric Acid SCHEMBL27237927 0.98 ADRB1 (0.63) ADRB1MTNR1AMTNR1BDRD2DRD3
SCHEMBL3925000 0.91 ADRB1 (0.61) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL6601483 0.89 ADRB1 (0.60) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL6193067 0.84 ADRB1 (0.54) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL5455305 0.83 ADRB1 (0.64) ADRB1DRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL4634216 0.83 ADRB1 (0.52) ADRB1DRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL9466548 0.83 ADRB1 (0.52) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL5455299 0.79 ADRB1 (0.51) ADRB1DRD2DRD3HTR3EHTR3B
Eltoprazine SCHEMBL177715 0.79 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL28532171 0.78 ADRB1 (0.54) ADRB1DRD2DRD3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
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 ADRB1 371/4885MTNR1A 198/4885MTNR1B 163/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885MTNR1A 198/4885MTNR1B 163/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885MTNR1A 198/4885MTNR1B 163/4885

“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.