SCHEMBL652126

SCHEMBL652126

c1ccc(CN2CCC3CNCC32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 7/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
GBA1 P04062 1/20 0.43
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL22605206 1.00 HTR1A (0.47) HTR1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL10078725 1.00 HTR1A (0.47) HTR1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL652125 1.00 HTR1A (0.47) HTR1ASIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4736470 0.91 LTA4H (0.43) SIGMAR1NPY1RHTTNPY2RCYP2C19
SCHEMBL28036567 0.91 LTA4H (0.43) SIGMAR1NPY1RHTTNPY2RCYP2C19
SCHEMBL10053945 0.88 HTR1A (0.45) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL23539600 0.84 SIGMAR1 (0.48) SIGMAR1CYP2C19
SCHEMBL23539599 0.84 SIGMAR1 (0.48) SIGMAR1CYP2C19
SCHEMBL24338285 0.84 SIGMAR1 (0.48) SIGMAR1CYP2C19
SCHEMBL24033332 0.83 NPY1R (0.46) NPY1RHTTNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
EP-3883937-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-09-29 EP disclosed
CN-113166174-A Free amino compounds for the treatment and prevention of bacterial infections 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
EP-3331886-B1 DOPAMINE D3 RECEPTOR ANTAGONISTS HAVING A BICYCLO MOIETY INDIVIOR UK LTD (GB) 2020-07-15 EP disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
EP-1122257-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-08-08 EP disclosed
EP-0481274-B1 7-(2,7-Diazabicyclo[3.3.0]octyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1996-10-23 EP disclosed
EP-0393424-B1 Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes BAYER AG (DE) 1995-09-27 EP disclosed
US-5284855-A Broad-spectrum antibiotics; gramnegative and -positive bacteria, esp. Enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 US disclosed
US-5241076-A 1,4-diazatricyclo [6.3.0.0]undecanes BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5202337-A Antibacterial agent, feed additive BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
US-5177210-A Preparation of 2,7-diazabicyclo(3.3.0)octanes BAYER AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
EP-0481274-A1 7-(2,7-Diazabicyclo[3.3.0]octyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-04-22 EP disclosed
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0393424-A2 Process for the preparation of 2,7-Diazabicyclo(3.3.O)octanes BAYER AG (DE) 1990-10-24 EP 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-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 HTR1A 134/4885SIGMAR1 856/4885HTR2A 284/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU HTR1A 145/4885SIGMAR1 983/4885HTR2A 296/4885
US-20210323981-A1 FREE AMINO COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION ARG1, PNISR, ARGLU1 HTR1A 3337/4885SIGMAR1 275/4885HTR2A 4090/4885

“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.