SCHEMBL4895232

SCHEMBL4895232

CN1CCN(CCCC(=O)c2ccc(Br)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR1B P28222 1/20 0.43
CYP2J2 P51589 1/20 0.41
MAOA P21397 1/20 0.41
PAOX Q6QHF9 1/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
KCNH2 Q12809 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 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
SCHEMBL4895422 0.86 ALDH1A1 (0.53) TSHRRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL14280840 0.77 RAB9A (0.57) TSHRRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL2377708 0.75 POLB (0.54) RAB9AALDH1A1LMNASMN1; SMN2POLB
SCHEMBL19127212 0.74 ALDH1A1 (0.53) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3380937 0.74 ALDH1A1 (0.46) TSHRRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16880935 0.72 KDM4E (0.50) TSHRRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL31584941 0.70 ALDH1A1 (0.61) TSHRRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL2377467 0.70 CYP2D6 (0.51) TSHRALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL14280836 0.70 KDM4E (0.60) TSHRRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL31436872 0.70 HRH3 (0.51) RAB9AALDH1A1KDM4EHTR1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
EP-1753754-A1 3- '4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116022-A1 3- `4- {6-SUBSTITUTED ALKANOYL) PYRIDIN-3-YL} -3-PHENYL! -5- (1H-1, 2, 3-TRIAZOL-1-YLMETHYL) -1, 3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO 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 (1 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-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L TSHR 1264/4885RAB9A 1370/4885ALDH1A1 189/4885

“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.