SCHEMBL9348476

SCHEMBL9348476

CCOC(=O)N1CC2N(Cc3ccccc3)CCC2(F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
OPRD1 P41143 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP2C9 P11712 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
CXCR3 P49682 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
RORC P51449 2/20 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
SCHEMBL29662079 1.00 ALDH1A1 (0.47) ALDH1A1L3MBTL1OPRD1MEN1KMT2A
SCHEMBL22950459 0.87 OPRD1 (0.45) OPRD1OPRK1RORC
SCHEMBL29662090 0.87 OPRD1 (0.45) OPRD1OPRK1RORC
SCHEMBL9041719 0.84 SIGMAR1 (0.39) ALDH1A1OPRD1MEN1KMT2AOPRM1
SCHEMBL9041256 0.78 MC4R (0.41) MEN1KMT2ACYP2D6
SCHEMBL20520705 0.77 OPRD1 (0.42) ALDH1A1L3MBTL1OPRD1MEN1KMT2A
SCHEMBL9345760 0.72 OPRD1 (0.46) OPRD1OPRK1RORCKDM4E
SCHEMBL29662112 0.72 PDK1 (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21682344 0.71 L3MBTL1 (0.41) ALDH1A1L3MBTL1OPRD1MEN1KMT2A
SCHEMBL29422875 0.71 L3MBTL1 (0.41) ALDH1A1L3MBTL1OPRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO 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
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
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
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-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 WO disclosed
US-5284855-A Broad-spectrum antibiotics; gramnegative and -positive bacteria, esp. Enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 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
US-5071999-A Preparation of 2,7-diazabicyclo[3.3.0]octanes BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 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-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 ALDH1A1 1539/4885L3MBTL1 1346/4885OPRD1 331/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 ALDH1A1 1539/4885L3MBTL1 1346/4885OPRD1 331/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU ALDH1A1 1214/4885L3MBTL1 1445/4885OPRD1 348/4885

“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.